Glycoside
GD116940
Name:
4,5-dihydroxy-6-({4-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-8-yl}oxy)-2-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C30H34O12Smiles:
C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(OC(=O)C=Cc4ccc(O)c(O)c4)C(O)C3O)CC12Aglycone:
C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 586.59 | Num_heavy_atoms: | 42 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD19393
Formula: C15H18O4
Smiles:
C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
