Glycoside
GD125233
Name:
4,5-dihydroxy-2-(hydroxymethyl)-6-({5,7,7-trimethyl-1,6-dioxo-1H,3H,4H,6H,7H,8H-indeno[5,6-c]pyran-8-yl}oxy)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H32O11Smiles:
Cc1c2c(cc3c1C(=O)C(C)(C)C3OC1OC(CO)C(OC(=O)C=Cc3ccc(O)cc3)C(O)C1O)C(=O)OCC2Aglycone:
Cc1c2c(cc3c1C(=O)C(C)(C)C3O)C(=O)OCC2.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.58 | Num_heavy_atoms: | 41 |
| TPSA: | 169.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD50644
Formula: C15H16O4
Smiles:
Cc1c2c(cc3c1C(=O)C(C)(C)C3O)C(=O)OCC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
