Glycoside
...
GD020675

Name:
None

Formula:
C152H146O50N20Cl4

Smiles:
Cc1c2oc3c(C)ccc(C(=O)Nc4cccc(CN[C@@]5(C)C[C@H](O[C@@H]6[C@H](Oc7c8cc9cc7Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@@H](NC(=O)[C@@H]9NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](O)c9ccc(c(Cl)c9)O8)c8ccc(O)c(c8)-c8c(O)cc(O)cc8[C@@H](C(=O)O)NC7=O)O[C@H](CO)[C@H](O)[C@H]6O)O[C@H](C)[C@H]5O)c4)c3nc-2c(C(=O)Nc2cccc(CN[C@@]3(C)C[C@H](O[C@@H]4[C@H](Oc5c6cc7cc5Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H]7NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](O)c7ccc(c(Cl)c7)O6)c6ccc(O)c(c6)-c6c(O)cc(O)cc6[C@@H](C(=O)O)NC5=O)O[C@H](CO)[C@H](O)[C@H]4O)O[C@H](C)[C@H]3O)c2)c(N)c1=O

Aglycone:
Cc1c2oc3c(C)ccc(C(=O)Nc4cccc(CNC5(C)CC(O)OC(C)C5O)c4)c3nc-2c(C(=O)Nc2cccc(CNC3(C)CC(O)OC(C)C3O)c2)c(N)c1=O.NC(=O)CC1NC(=O)C(N)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC2=O.NC(=O)CC1NC(=O)C(N)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 70 RingCount: 29
HBD: 44 FractionCSP3: 0.32
AlogP: 3.91 Num_rotatable_bonds: 26
MolWt: 3146.7 Num_heavy_atoms: 222
TPSA: 1130.1 NumAromaticRings: 13

Unique Aglycone
AD05136
Formula: C48H39O16N7Cl2

Smiles:
NC(=O)CC1NC(=O)C(N)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC2=O
HBA: 23 RingCount: 10
HBD: 16 FractionCSP3: 0.2
AlogP: 1.6 Num_rotatable_bonds: 3
MolWt: 1016.76 Num_heavy_atoms: 71
TPSA: 391.75 NumAromaticRings: 5
AD12397
Formula: C44H52O10N6

Smiles:
Cc1c2oc3c(C)ccc(C(=O)Nc4cccc(CNC5(C)CC(O)OC(C)C5O)c4)c3nc-2c(C(=O)Nc2cccc(CNC3(C)CC(O)OC(C)C3O)c2)c(N)c1=O
HBA: 16 RingCount: 7
HBD: 10 FractionCSP3: 0.41
AlogP: 3.67 Num_rotatable_bonds: 10
MolWt: 824.93 Num_heavy_atoms: 60
TPSA: 250.76 NumAromaticRings: 3

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O