Glycoside
GD142998
Name:
7-{[2-acetyl-4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,8-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C29H32O17Smiles:
CC(=O)C1(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2O)OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
CC(=O)C1(O)OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.56 | Num_heavy_atoms: | 46 |
| TPSA: | 286.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD06991
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
