Glycoside
GD131300
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-({6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methoxy)oxane-3,4,5-triolFormula:
C21H34O10Smiles:
CC1(C)C2CC=C(COC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C1C2Aglycone:
CC1(C)C2CC=C(CO)C1C2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.49 | Num_heavy_atoms: | 31 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD45669
Formula: C10H16O
Smiles:
CC1(C)C2CC=C(CO)C1C2| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.24 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
