Glycoside
GD127398
Name:
7-{5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl}-1-(C-hydroxycarbonimidoyloxy)octane-2,3,4-triolFormula:
C36H63O5NSmiles:
CC(CCC(O)C(O)C(O)COC(=N)O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21CAglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21CSugarmoiety:
N=C(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 7.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 589.9 | Num_heavy_atoms: | 42 |
| TPSA: | 114.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD09499
Formula: C31H54
Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 9.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 426.77 | Num_heavy_atoms: | 31 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
