Glycoside
GD128808
Name:
2-[1-(9a,11a-dimethyl-5-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)ethyl]-5-methyl-3,4,5,6-tetrahydropyridin-3-oneFormula:
C33H51O8NSmiles:
CC1CN=C(C(C)C2CCC3C4CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C)C(=O)C1Aglycone:
CC1CN=C(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)C(=O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 589.77 | Num_heavy_atoms: | 42 |
| TPSA: | 145.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD52178
Formula: C27H41O3N
Smiles:
CC1CN=C(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)C(=O)C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 427.63 | Num_heavy_atoms: | 31 |
| TPSA: | 66.73 | NumAromaticRings: | 0 |
