Glycoside
GD125322
Name:
5-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-hydroxyphenyl)-3,6,7,8-tetramethoxy-4H-chromen-4-oneFormula:
C36H46O21Smiles:
COc1c(OC)c(OC2OC(CO)C(OC3OCC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1OCAglycone:
COc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1OCSugarmoiety:
CC1OC(OC2C(O)COC(OC3C(CO)OC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 12 |
| MolWt: | 814.74 | Num_heavy_atoms: | 57 |
| TPSA: | 304.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD50680
Formula: C19H18O8
Smiles:
COc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 107.59 | NumAromaticRings: | 3 |
