Glycoside
GD135779
Name:
7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-methoxy-2H-chromen-2-oneFormula:
C21H26O13Smiles:
COc1cc2ccc(=O)oc2cc1OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
COc1cc2ccc(=O)oc2cc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.43 | Num_heavy_atoms: | 34 |
| TPSA: | 197.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD09078
Formula: C10H8O4
Smiles:
COc1cc2ccc(=O)oc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
