Glycoside
GD139675
Name:
5,7-dihydroxy-2-(hydroxymethyl)-8-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl)-4H-chromen-4-oneFormula:
C21H26O11Smiles:
CC(=CCc1c(O)cc(O)c2c(=O)cc(CO)oc12)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCc1c(O)cc(O)c2c(=O)cc(CO)oc12)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.43 | Num_heavy_atoms: | 32 |
| TPSA: | 190.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD50380
Formula: C15H16O6
Smiles:
CC(=CCc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 292.29 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 2 |
