Glycoside
GD126389
Name:
5,7-dihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C33H42O21Smiles:
CC1OC(OCC2OC(OC3C(=O)c4c(O)cc(O)cc4OC3c3ccc(OC4OC(CO)C(O)C(O)C4O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.61 |
| AlogP: | -4.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 774.68 | Num_heavy_atoms: | 54 |
| TPSA: | 344.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD01473
Formula: C15H12O7
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
