Glycoside
GD134105
Name:
9-{[3,5-dihydroxy-5-(1-hydroxyethyl)-6-methyloxan-2-yl]oxy}-12-hydroxy-2-{[(4-hydroxy-5,6-dimethoxy-3-methyloxan-2-yl)oxy]methyl}-3,8,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dioneFormula:
C35H56O15Smiles:
COC1OC(OCC2C(C)OC(=O)C=CC(C)C(OC3OC(C)C(O)(C(C)O)CC3O)CCC(C)(O)C(=O)C=CC3OC32)C(C)C(O)C1OCAglycone:
CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CCC1OSugarmoiety:
CC(O)C1(O)CC(O)C(O)OC1C.COC1OC(O)C(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 716.82 | Num_heavy_atoms: | 50 |
| TPSA: | 212.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD48034
Formula: C19H28O7
Smiles:
CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CCC1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.43 | Num_heavy_atoms: | 26 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
