Glycoside
...
GD033979

Name:
None

Formula:
C83H80O27N10Cl2

Smiles:
Cc1ccc(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+](=O)[O-])c1OCc1ccccc1

Aglycone:
Cc1ccc(C(=O)Nc2cccc(CNC3(C)CC(O)OC(C)C3O)c2)c([N+](=O)[O-])c1OCc1ccccc1.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

Other Identifiers

Properties
HBA: 37 RingCount: 15
HBD: 21 FractionCSP3: 0.31
AlogP: 4.19 Num_rotatable_bonds: 17
MolWt: 1696.48 Num_heavy_atoms: 120
TPSA: 582.86 NumAromaticRings: 8

Unique Aglycone
AD00638
Formula: C29H33O7N3

Smiles:
Cc1ccc(C(=O)Nc2cccc(CNC3(C)CC(O)OC(C)C3O)c2)c([N+](=O)[O-])c1OCc1ccccc1
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.34
AlogP: 4.07 Num_rotatable_bonds: 9
MolWt: 535.6 Num_heavy_atoms: 39
TPSA: 143.19 NumAromaticRings: 3
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

Sugarmoiety
SD00003

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