Glycoside
GD135292
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-1-yl]oxy}oxane-3,4,5-triolFormula:
C21H34O11Smiles:
CC1(C)C2CC1(OC1OC(COC3OCC(O)(CO)C3O)C(O)C(O)C1O)CC=C2COAglycone:
CC1(C)C2CC1(O)CC=C2COSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.49 | Num_heavy_atoms: | 32 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD54712
Formula: C10H16O2
Smiles:
CC1(C)C2CC1(O)CC=C2CO| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
