Glycoside
...
GD013920

Name:
None

Formula:
C67H56O23N8Cl2

Smiles:
CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3OC3OC(C(=O)O)C(O)C(O)C3N)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O

Aglycone:
CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O

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

Other Identifiers

Properties
HBA: 31 RingCount: 14
HBD: 19 FractionCSP3: 0.23
AlogP: 2.78 Num_rotatable_bonds: 5
MolWt: 1388.1 Num_heavy_atoms: 98
TPSA: 495.24 NumAromaticRings: 7

Unique Aglycone
AD01031
Formula: C61H47O18N7Cl2

Smiles:
CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O
HBA: 25 RingCount: 13
HBD: 15 FractionCSP3: 0.17
AlogP: 5.25 Num_rotatable_bonds: 2
MolWt: 1212.96 Num_heavy_atoms: 86
TPSA: 393.23 NumAromaticRings: 7

Sugarmoiety
SD01872

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