Glycoside
GD143163
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-oneFormula:
C29H34O16Smiles:
COc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)c(-c3ccc(O)c(OC)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 247.43 | 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 |
