Glycoside
GD155794
Name:
2-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-9-({6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl}oxy)-12-(hydroxymethyl)-3,8,10-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dioneFormula:
C37H56O16Smiles:
COC1C(OCC2C(C)OC(=O)C=CC(C)C(OC3OC(C)CC4(OC(=O)OC4C)C3O)C(C)CC(CO)C(=O)C=CC3OC32)OC(C)C(O)C1OCAglycone:
CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(CO)C3OC3C=CC(=O)C(CO)CC2C)O1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 756.84 | Num_heavy_atoms: | 53 |
| TPSA: | 207.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD61753
Formula: C29H42O12
Smiles:
CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(CO)C3OC3C=CC(=O)C(CO)CC2C)O1| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 582.64 | Num_heavy_atoms: | 41 |
| TPSA: | 170.58 | NumAromaticRings: | 0 |
