Glycoside
GD157205
Name:
7-{5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl}-1-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyoctan-4-oneFormula:
C41H71O8NSmiles:
CC(CCC(=O)C(O)C(O)COC1OC(CO)C(O)C(O)C1N)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21CAglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21CSugarmoiety:
NC1C(OCC(O)C(O)C(=O)O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 706.02 | Num_heavy_atoms: | 50 |
| TPSA: | 162.7 | 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 |
