Glycoside
GD147683
Name:
2-[(6-{1-[(2-ethyl-2-{[7-hydroxy-9-(3-methoxy-4-methylpentan-2-yl)-2,8-dimethyl-1-oxaspiro[4.5]decan-2-yl]methoxy}pentyl)oxy]-3-methylbutyl}-2-hydroxy-3,5-dimethyloxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C45H84O13Smiles:
CCCC(CC)(COC(CC(C)C)C1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(C)CC1C)OCC1(C)CCC2(CC(O)C(C)C(C(C)C(OC)C(C)C)C2)O1Aglycone:
CCCC(CC)(COC(CC(C)C)C1OC(O)(CO)C(C)CC1C)OCC1(C)CCC2(CC(O)C(C)C(C(C)C(OC)C(C)C)C2)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 20 |
| MolWt: | 833.15 | Num_heavy_atoms: | 58 |
| TPSA: | 185.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD59135
Formula: C39H74O8
Smiles:
CCCC(CC)(COC(CC(C)C)C1OC(O)(CO)C(C)CC1C)OCC1(C)CCC2(CC(O)C(C)C(C(C)C(OC)C(C)C)C2)O1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 7.15 | Num_rotatable_bonds: | 17 |
| MolWt: | 671.01 | Num_heavy_atoms: | 47 |
| TPSA: | 106.84 | NumAromaticRings: | 0 |
