Glycoside
...
GD004439

Name:
None

Formula:
C43H78O14N2

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](N(C)C3CCC3)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C3CCC3)C2O)C(C)(O)CC(C)C(OCC(=O)NC)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 6 FractionCSP3: 0.95
AlogP: 2.27 Num_rotatable_bonds: 11
MolWt: 847.1 Num_heavy_atoms: 59
TPSA: 215.17 NumAromaticRings: 0

Unique Aglycone
AD03877
Formula: C35H64O11N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C3CCC3)C2O)C(C)(O)CC(C)C(OCC(=O)NC)C(C)C(O)C1(C)O
HBA: 13 RingCount: 3
HBD: 6 FractionCSP3: 0.94
AlogP: 1.35 Num_rotatable_bonds: 8
MolWt: 688.9 Num_heavy_atoms: 48
TPSA: 187.48 NumAromaticRings: 0

Sugarmoiety
SD00005

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