Glycoside
...
GD032515

Name:
None

Formula:
C69H58O23N10Cl2

Smiles:
COC(=O)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@@H]4NC(=O)[C@H](Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)[C@H](N=[N+]=[N-])c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Aglycone:
COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N=[N+]=[N-])c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 14
HBD: 16 FractionCSP3: 0.25
AlogP: 4.39 Num_rotatable_bonds: 6
MolWt: 1442.15 Num_heavy_atoms: 102
TPSA: 506.98 NumAromaticRings: 7

Unique Aglycone
AD20852
Formula: C61H45O18N9Cl2

Smiles:
COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N=[N+]=[N-])c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
HBA: 27 RingCount: 13
HBD: 13 FractionCSP3: 0.17
AlogP: 6.42 Num_rotatable_bonds: 2
MolWt: 1238.96 Num_heavy_atoms: 88
TPSA: 418.96 NumAromaticRings: 7

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O