Glycoside
GD133643
Name:
2-(1,2-dihydroxypropan-2-yl)-6,10-dimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}spiro[4.5]dec-6-en-8-oneFormula:
C21H34O9Smiles:
CC1=CC(=O)C(OC2OC(CO)C(O)C(O)C2O)C(C)C12CCC(C(C)(O)CO)C2Aglycone:
CC1=CC(=O)C(O)C(C)C12CCC(C(C)(O)CO)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD54079
Formula: C15H24O4
Smiles:
CC1=CC(=O)C(O)C(C)C12CCC(C(C)(O)CO)C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.35 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
