Glycoside
GD125303
Name:
2-[(7-{5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl}-2,3,4-trihydroxyoctyl)oxy]-6-(aminomethyl)oxane-3,4,5-triolFormula:
C41H73O8NSmiles:
CC(CCC(O)C(O)C(O)COC1OC(CN)C(O)C(O)C1O)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21CAglycone:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21CSugarmoiety:
NCC1OC(OCC(O)C(O)C(O)O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 708.03 | Num_heavy_atoms: | 50 |
| TPSA: | 165.86 | 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 |
