Glycoside
...
GD029156

Name:
None

Formula:
C80H84O25N8Cl2S

Smiles:
CCCCCCCCCCCCS(=O)(=O)N[C@@H]1C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]3NC(=O)[C@H](NC(O)[C@H]4NC(=O)[C@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O

Aglycone:
CCCCCCCCCCCCS(=O)(=O)NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=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:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 14
HBD: 19 FractionCSP3: 0.37
AlogP: 6.63 Num_rotatable_bonds: 18
MolWt: 1636.53 Num_heavy_atoms: 114
TPSA: 518.55 NumAromaticRings: 7

Unique Aglycone
AD19001
Formula: C72H71O20N7Cl2S

Smiles:
CCCCCCCCCCCCS(=O)(=O)NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=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: 27 RingCount: 13
HBD: 16 FractionCSP3: 0.31
AlogP: 8.66 Num_rotatable_bonds: 14
MolWt: 1433.34 Num_heavy_atoms: 100
TPSA: 430.53 NumAromaticRings: 7

Sugarmoiety
SD00014

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