Glycoside
GD112677
Name:
3-(acetyloxy)-5-(benzoyloxy)-6-[(benzoyloxy)methyl]-2-(ethylsulfanyl)oxan-4-yl benzoateFormula:
C31H30O9SSmiles:
CCS[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(C)=OAglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
CCSC1OC(O)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 10 |
| MolWt: | 578.64 | Num_heavy_atoms: | 41 |
| TPSA: | 114.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
