Glycoside
GD134194
Name:
1-(2,6-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[3.1.1]hept-2-en-6-yl)-4-methylpent-3-en-2-oneFormula:
C21H32O7Smiles:
CC(C)=CC(=O)CC1(C)C2CC1C(OC1OC(CO)C(O)C(O)C1O)C=C2CAglycone:
CC(C)=CC(=O)CC1(C)C2CC1C(O)C=C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD54289
Formula: C15H22O2
Smiles:
CC(C)=CC(=O)CC1(C)C2CC1C(O)C=C2C| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.34 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
