Glycoside
...
GD015385

Name:
None

Formula:
C42H78O13N2

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

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(OCC(=O)NC)C(C)C(O)C1C

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 5 FractionCSP3: 0.95
AlogP: 3.01 Num_rotatable_bonds: 11
MolWt: 819.09 Num_heavy_atoms: 57
TPSA: 194.94 NumAromaticRings: 0

Unique Aglycone
AD11187
Formula: C34H64O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(OCC(=O)NC)C(C)C(O)C1C
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.94
AlogP: 2.09 Num_rotatable_bonds: 8
MolWt: 660.89 Num_heavy_atoms: 46
TPSA: 167.25 NumAromaticRings: 0

Sugarmoiety
SD00005

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