Glycoside
GD156063
Name:
5-[5-(hydroxymethyl)-2,5,8a-trimethyl-2-{[3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methoxy}-decahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl acetateFormula:
C36H56O13Smiles:
CC(=O)OCC=C(C)CCC1C(C)(OCC2OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CCC2C(C)(CO)CCCC21CAglycone:
COC1(C)CCC2C(C)(CO)CCCC2(C)C1CCC(C)=CCOC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 13 |
| MolWt: | 696.83 | Num_heavy_atoms: | 49 |
| TPSA: | 170.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD61832
Formula: C23H40O4
Smiles:
COC1(C)CCC2C(C)(CO)CCCC2(C)C1CCC(C)=CCOC(C)=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 380.57 | Num_heavy_atoms: | 27 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
