Glycoside
GD148614
Name:
2-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-oneFormula:
C21H34O8Smiles:
CC1=CC(=O)CC(C)C12CCC(C(C)(CO)OC1OC(CO)C(O)C(O)C1O)C2Aglycone:
CC1=CC(=O)CC(C)C12CCC(C(C)(O)CO)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.5 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD49434
Formula: C15H24O3
Smiles:
CC1=CC(=O)CC(C)C12CCC(C(C)(O)CO)C2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.35 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
