Glycoside
GD116794
Name:
N-{4-hydroxy-2-[(2-{6-[5-hydroxy-3-(2-hydroxypropan-2-yl)-6a,9b-dimethyl-dodecahydroindeno[5,4-b]pyran-7-yl]-4a-methyl-3,4,4a,7,8,8a-hexahydro-2H-1-benzopyran-2-yl}propan-2-yl)oxy]-6-(hydroxymethyl)-5-methoxyoxan-3-yl}acetamideFormula:
C39H65O10NSmiles:
COC1C(CO)OC(OC(C)(C)C2CCC3(C)C=C(C4CCC5C4(C)CC(O)C4OC(C(C)(C)O)CCC45C)CCC3O2)C(N=C(C)O)C1OAglycone:
CC(C)(O)C1CCC2(C)C=C(C3CCC4C3(C)CC(O)C3OC(C(C)(C)O)CCC34C)CCC2O1Sugarmoiety:
COC1C(CO)OC(O)C(N=C(C)O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 707.95 | Num_heavy_atoms: | 50 |
| TPSA: | 159.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD46453
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC2(C)C=C(C3CCC4C3(C)CC(O)C3OC(C(C)(C)O)CCC34C)CCC2O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
