Glycoside
GD133099
Name:
3-[(2-acetyl-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]-6,8-dihydroxy-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C24H26O12Smiles:
CC(=O)c1c(CC2Cc3cc(O)cc(O)c3C(=O)O2)cc(O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)c1c(O)cc(O)cc1CC1Cc2cc(O)cc(O)c2C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.46 | Num_heavy_atoms: | 36 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD53885
Formula: C18H16O7
Smiles:
CC(=O)c1c(O)cc(O)cc1CC1Cc2cc(O)cc(O)c2C(=O)O1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
