Glycoside
GD155531
Name:
3-[(4,5-dihydroxy-6-{[(2,3,4-trihydroxy-5-methylcyclohexyl)oxy]methyl}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-oneFormula:
C34H42O19Smiles:
CC1CC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
COC1CC(C)C(O)C(O)C1O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 754.69 | Num_heavy_atoms: | 53 |
| TPSA: | 319.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
AD46936
Formula: C8H16O4
Smiles:
COC1CC(C)C(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.21 | Num_heavy_atoms: | 12 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
