Glycoside
...
GD019332

Name:
None

Formula:
C72H65O24N9Cl2

Smiles:
CCOC(=O)CNC(=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)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Aglycone:
CCOC(=O)CNC(=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)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: 19 FractionCSP3: 0.27
AlogP: 2.55 Num_rotatable_bonds: 8
MolWt: 1487.24 Num_heavy_atoms: 105
TPSA: 513.34 NumAromaticRings: 7

Unique Aglycone
AD04475
Formula: C64H52O19N8Cl2

Smiles:
CCOC(=O)CNC(=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)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
HBA: 27 RingCount: 13
HBD: 16 FractionCSP3: 0.19
AlogP: 4.58 Num_rotatable_bonds: 4
MolWt: 1284.04 Num_heavy_atoms: 91
TPSA: 425.32 NumAromaticRings: 7

Sugarmoiety
SD00014

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