Glycoside
GD144662
Name:
5-{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}hexane-2,3,4-triolFormula:
C39H69O8NSmiles:
CC(C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1N)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21CAglycone:
CCC1CCC2(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: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 679.98 | Num_heavy_atoms: | 48 |
| TPSA: | 165.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD54266
Formula: C29H50
Smiles:
CCC1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 8.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 398.72 | Num_heavy_atoms: | 29 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
