Glycoside
GD120787
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl]oxy}oxan-2-yl)methyl 4-(formyloxy)-3-hydroxy-3-methylbutanoateFormula:
C29H32O16Smiles:
COc1cc(O)c2c(=O)c(OC3OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C3O)c(-c3ccc(O)c(OC)c3)oc2c1Aglycone:
COC(=O)CC(C)(O)COC=O.COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 12 |
| MolWt: | 636.56 | Num_heavy_atoms: | 45 |
| TPSA: | 241.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD13813
Formula: C17H14O7
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
AD47257
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)COC=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
