Glycoside
GD139533
Name:
7-[(4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O14Smiles:
CC1OC(OCC2OC(Oc3cc(O)c4c(c3)OC(c3ccc(O)c(O)c3)CC4=O)CC(O)C2O)C(O)C(O)C1OAglycone:
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(OCC2OC(O)CC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00087
Formula: C15H12O6
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
