Glycoside
GD114145
Name:
NoneFormula:
C32H57O9NSmiles:
CCCCCCCCCCCCCCCCCCO[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=OAglycone:
CCCCCCCCCCCCCCCCCCO.COC(C)=OSugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 5.92 | Num_rotatable_bonds: | 23 |
| MolWt: | 599.81 | Num_heavy_atoms: | 42 |
| TPSA: | 126.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD07965
Formula: C18H38O
Smiles:
CCCCCCCCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 6.24 | Num_rotatable_bonds: | 16 |
| MolWt: | 270.5 | Num_heavy_atoms: | 19 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
