Glycoside
GD131533
Name:
6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-4,7-dimethyl-octahydrocyclopenta[b]pyran-3-oneFormula:
C21H34O13Smiles:
CC1C(=O)COC2C1CC(OC1OC(COC3OCC(O)(CO)C3O)C(O)C(O)C1O)C2(C)OAglycone:
CC1C(=O)COC2C1CC(O)C2(C)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -3.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.49 | Num_heavy_atoms: | 34 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD48442
Formula: C10H16O4
Smiles:
CC1C(=O)COC2C1CC(O)C2(C)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 200.23 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
