Glycoside
GD149122
Name:
4-O-GalloylalbiflorinFormula:
C30H32O15Smiles:
CC12CC(OC(=O)c3cc(O)c(O)c(O)c3)C3CC1(OC1OC(CO)C(O)C(O)C1O)C3(COC(=O)c1ccccc1)C(=O)O2Aglycone:
CC12CC(OC(=O)c3cc(O)c(O)c(O)c3)C3CC1(O)C3(COC(=O)c1ccccc1)C(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.57 | Num_heavy_atoms: | 45 |
| TPSA: | 238.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD59634
Formula: C24H22O10
Smiles:
CC12CC(OC(=O)c3cc(O)c(O)c(O)c3)C3CC1(O)C3(COC(=O)c1ccccc1)C(=O)O2| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.43 | Num_heavy_atoms: | 34 |
| TPSA: | 159.82 | NumAromaticRings: | 2 |
