Glycoside
GD128344
Name:
2''-O-(2'''-Methylbutyryl)OrientinFormula:
C26H28O12Smiles:
CCC(C)C(=O)OC1C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)OC(CO)C(O)C1OAglycone:
CCC(C)C(=O)O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 532.5 | Num_heavy_atoms: | 38 |
| TPSA: | 207.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(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 |
