Glycoside
...
GD001857

Name:
None

Formula:
C43H78O13N4S

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](NCCNCCNCc3nccs3)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NCCNCCNCc3nccs3)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 9 FractionCSP3: 0.91
AlogP: 1.44 Num_rotatable_bonds: 15
MolWt: 891.18 Num_heavy_atoms: 61
TPSA: 242.81 NumAromaticRings: 1

Unique Aglycone
AD01817
Formula: C35H64O10N4S

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NCCNCCNCc3nccs3)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O
HBA: 14 RingCount: 3
HBD: 9 FractionCSP3: 0.89
AlogP: 0.52 Num_rotatable_bonds: 12
MolWt: 732.98 Num_heavy_atoms: 50
TPSA: 215.12 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O