Glycoside
GD033481
Name:
2-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-methoxyphenyl}-5-hydroxy-3,7-dimethoxy-4H-chromen-4-oneFormula:
C29H34O16Smiles:
COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@](O)(CO)[C@H]4O)c(OC)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 10 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 236.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD21370
Formula: C18H16O7
Smiles:
COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
