Glycoside
GD152838
Name:
6-(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2-methylheptyl acetateFormula:
C37H63O9NSmiles:
CC(=O)OCC(C)CCCC(C)C1CC(OC2OC(CO)C(O)C(O)C2N=C(C)O)C2C3CCC4CC(O)CCC4(C)C3CCC12CAglycone:
CC(=O)OCC(C)CCCC(C)C1CC(O)C2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 665.91 | Num_heavy_atoms: | 47 |
| TPSA: | 158.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD60822
Formula: C29H50O4
Smiles:
CC(=O)OCC(C)CCCC(C)C1CC(O)C2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.72 | Num_heavy_atoms: | 33 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
