Glycoside
GD148705
Name:
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-6,7-dihydro-4H-chromen-4-oneFormula:
C33H42O21Smiles:
CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4c(c3=O)=C(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C=4)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c1=C(O)C(O)C(O)C=2Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.61 |
| AlogP: | -6.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 774.68 | Num_heavy_atoms: | 54 |
| TPSA: | 348.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD59493
Formula: C15H12O7
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c1=C(O)C(O)C(O)C=2| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 2 |
