Glycoside
GD156615
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-{[5-methyl-4-oxo-2-(2-oxopropyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-8-yl]oxy}oxan-3-yl 3-phenylprop-2-enoateFormula:
C34H38O16Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(OC3OC(CO)C(O)C(O)C3O)c(OC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccccc3)c2o1Aglycone:
CC(=O)Cc1cc(=O)c2c(C)cc(O)c(O)c2o1.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 702.66 | Num_heavy_atoms: | 50 |
| TPSA: | 252.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD55585
Formula: C13H12O5
Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)c(O)c2o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.23 | Num_heavy_atoms: | 18 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
