Glycoside
GD149146
Name:
2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy}methyl)-6-{[10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl]methoxy}oxane-3,4,5-triolFormula:
C43H72O13Smiles:
CC1CCC2(COC3OC(COC4OC(CO)C(C)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1CAglycone:
CC1CCC2(CO)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1CSugarmoiety:
CC1C(CO)OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 797.04 | Num_heavy_atoms: | 56 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD59640
Formula: C30H50O4
Smiles:
CC1CCC2(CO)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
