Glycoside
GD141811
Name:
6-[(6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)methoxy]oxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C34H40O21Smiles:
CC1OC(COC2C(O)C(COC3OC(C(=O)O)C(O)C(O)C3O)OC(Oc3cc(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c34)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(COC2C(O)C(O)OC(COC3OC(C(=O)O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 784.67 | Num_heavy_atoms: | 55 |
| TPSA: | 345.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
