Glycoside
...
GD020370

Name:
None

Formula:
C66H53O22N7Cl2

Smiles:
N[C@@H]1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)CC3=NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)cc1[C@H](C(=O)O)NC3=O

Aglycone:
NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)CC3=NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O

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

Other Identifiers

Properties
HBA: 29 RingCount: 14
HBD: 17 FractionCSP3: 0.22
AlogP: 3.45 Num_rotatable_bonds: 4
MolWt: 1343.06 Num_heavy_atoms: 95
TPSA: 466.47 NumAromaticRings: 7

Unique Aglycone
AD14037
Formula: C60H43O17N7Cl2

Smiles:
NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)CC3=NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O
HBA: 24 RingCount: 13
HBD: 14 FractionCSP3: 0.14
AlogP: 5.98 Num_rotatable_bonds: 1
MolWt: 1180.92 Num_heavy_atoms: 84
TPSA: 387.32 NumAromaticRings: 7

Sugarmoiety
SD00003

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