Glycoside
GD120932
Name:
4-{[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-hydroxyoxan-2-yl]oxy}-2,6-dihydroxybenzoic acidFormula:
C19H22O13Smiles:
CC(=O)OCC1OC(Oc2cc(O)c(C(=O)O)c(O)c2)C(O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=C(O)c1c(O)cc(O)cc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.37 | Num_heavy_atoms: | 32 |
| TPSA: | 195.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
