Glycoside
GD147709
Name:
5-[(5-{5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl}-2,3,4-trihydroxyhexyl)oxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triolFormula:
C39H69O8NSmiles:
CC(C(O)C(O)C(O)COC1C(N)C(O)C(O)C1(O)CO)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21CAglycone:
CCC1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C.NC1CC(O)(CO)C(O)C1OSugarmoiety:
OOCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 679.98 | Num_heavy_atoms: | 48 |
| TPSA: | 176.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD09500
Formula: C6H13O4N
Smiles:
NC1CC(O)(CO)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.17 | Num_heavy_atoms: | 11 |
| TPSA: | 106.94 | NumAromaticRings: | 0 |
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 |
