Glycoside
GD139138
Name:
2',4',5,7-Tetrahydroxyflavanone; (S)-Form, 2',5,7-Tri-Me Ether, 4'-O-[β-D-Galactopyranosyl-(1->3)-β-D-Glucopyranoside]Formula:
C30H38O16Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)cc1OC)CC2=OAglycone:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1OC)CC2=OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 654.62 | Num_heavy_atoms: | 46 |
| TPSA: | 232.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD47548
Formula: C18H18O6
Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1OC)CC2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
