Glycoside
GD152136
Name:
9-{[4,5-dihydroxy-5-(1-hydroxyethyl)-6-methyloxan-2-yl]oxy}-12-hydroxy-2-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dioneFormula:
C36H58O15Smiles:
COC1C(OCC2C(C)OC(=O)C=CC(C)C(OC3CC(O)C(O)(C(C)O)C(C)O3)C(C)CC(C)(O)C(=O)C=CC3OC32)OC(C)C(O)C1OCAglycone:
CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CC(C)C1OSugarmoiety:
CC(O)C1(O)C(O)CC(O)OC1C.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 730.85 | Num_heavy_atoms: | 51 |
| TPSA: | 212.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD00673
Formula: C20H30O7
Smiles:
CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CC(C)C1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 382.45 | Num_heavy_atoms: | 27 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
