Glycoside
GD147155
Name:
2-[(2-{[6,9-dihydroxy-8-(5-hydroxy-6-methylheptan-2-yl)-1,1,7a,11a-tetramethyl-hexadecahydro-1H-cyclopropa[f]chrysen-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C43H74O14Smiles:
CC(C)C(O)CCC(C)C1C(O)CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)CCC45CC35C(O)CC12CAglycone:
CC(C)C(O)CCC(C)C1C(O)CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 815.05 | Num_heavy_atoms: | 57 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD58944
Formula: C31H54O4
Smiles:
CC(C)C(O)CCC(C)C1C(O)CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.77 | Num_heavy_atoms: | 35 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
