Glycoside
...
GD024241

Name:
None

Formula:
C76H93O28N10PCl2

Smiles:
CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@H](O)[C@H]2O)O[C@H](C)[C@H]1O

Aglycone:
CCCCCCCCCCNCCNC1(C)CC(O)OC(C)C1O.NC(=O)CC1NC(=O)C(NC(=O)O)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC1=O)c1ccc(O)c(c1)-c1c(cc(O)c(CNCP(=O)(O)O)c1O)C(C(=O)O)NC2=O

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

Other Identifiers

Properties
HBA: 38 RingCount: 12
HBD: 24 FractionCSP3: 0.49
AlogP: 2.21 Num_rotatable_bonds: 26
MolWt: 1672.48 Num_heavy_atoms: 115
TPSA: 606.29 NumAromaticRings: 5

Unique Aglycone
AD02294
Formula: C19H40O3N2

Smiles:
CCCCCCCCCCNCCNC1(C)CC(O)OC(C)C1O
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: 2.55 Num_rotatable_bonds: 13
MolWt: 344.54 Num_heavy_atoms: 24
TPSA: 73.75 NumAromaticRings: 0
AD16200
Formula: C51H45O21N8PCl2

Smiles:
NC(=O)CC1NC(=O)C(NC(=O)O)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC1=O)c1ccc(O)c(c1)-c1c(cc(O)c(CNCP(=O)(O)O)c1O)C(C(=O)O)NC2=O
HBA: 29 RingCount: 10
HBD: 19 FractionCSP3: 0.22
AlogP: 1.14 Num_rotatable_bonds: 8
MolWt: 1183.81 Num_heavy_atoms: 81
TPSA: 484.62 NumAromaticRings: 5

Sugarmoiety
SD00003

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