Glycoside
GD032890
Name:
7-({6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-chromen-4-oneFormula:
C35H44O20Smiles:
COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2OC)cc1OAglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1OSugarmoiety:
CC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 784.72 | Num_heavy_atoms: | 55 |
| TPSA: | 306.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD19756
Formula: C17H14O7
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O| 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 |
