Glycoside
GD114868
Name:
4-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,5-dimethoxybenzoic acidFormula:
C21H30O14Smiles:
COc1cc(C(=O)O)cc(OC)c1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
COc1cc(C(=O)O)cc(OC)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.46 | Num_heavy_atoms: | 35 |
| TPSA: | 214.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD16068
Formula: C9H10O5
Smiles:
COc1cc(C(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.17 | Num_heavy_atoms: | 14 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
