Glycoside
GD158255
Name:
3-hydroxy-6-{[5-(2-hydroxy-2,5,8a-trimethyl-5-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-decahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}-2-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl acetateFormula:
C40H68O16Smiles:
C=CC(C)(CCC1C(C)(O)CCC2C(C)(COC3OC(C)C(O)C(O)C3O)CCCC12C)OC1OC(C)C(O)C(OC(C)=O)C1OC1OC(C)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(CO)CCCC12CSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OC1OC(C)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 12 |
| MolWt: | 804.97 | Num_heavy_atoms: | 56 |
| TPSA: | 243.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD53590
Formula: C20H36O3
Smiles:
C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(CO)CCCC12C| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 324.51 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
