Glycoside
...
GD017018

Name:
None

Formula:
C39H69O13N

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

Aglycone:
CCC(OC(C)=O)C(C)(O)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(O2)C1C

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 3 FractionCSP3: 0.95
AlogP: 3.19 Num_rotatable_bonds: 10
MolWt: 759.98 Num_heavy_atoms: 53
TPSA: 171.91 NumAromaticRings: 0

Unique Aglycone
AD12190
Formula: C31H55O10N

Smiles:
CCC(OC(C)=O)C(C)(O)C1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(O2)C1C
HBA: 11 RingCount: 3
HBD: 3 FractionCSP3: 0.94
AlogP: 2.27 Num_rotatable_bonds: 7
MolWt: 601.78 Num_heavy_atoms: 42
TPSA: 144.22 NumAromaticRings: 0

Sugarmoiety
SD00005

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