Glycoside
GD117475
Name:
5,7-dihydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C32H38O21Smiles:
O=c1cc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)c(OC3OCC(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.53 |
| AlogP: | -4.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 758.64 | Num_heavy_atoms: | 53 |
| TPSA: | 348.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00203
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
