Glycoside
GD139886
Name:
2-hydroxy-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})benzoic acidFormula:
C19H26O15Smiles:
O=C(O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | -4.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.4 | Num_heavy_atoms: | 34 |
| TPSA: | 256.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD46596
Formula: C7H6O5
Smiles:
O=C(O)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
