Glycoside
GD030995
Name:
NoneFormula:
C27H39O7NSmiles:
COC1C(C)OC(OCC23CC4C(C)CCC4[C@]4(C#N)C[C@H]2C=C(C(C)C)[C@]34C(=O)O)C(O)C1OAglycone:
CC(C)C1=CC2CC3(C#N)C4CCC(C)C4CC2(CO)C13C(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.61 | Num_heavy_atoms: | 35 |
| TPSA: | 129.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD20019
Formula: C20H27O3N
Smiles:
CC(C)C1=CC2CC3(C#N)C4CCC(C)C4CC2(CO)C13C(=O)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.44 | Num_heavy_atoms: | 24 |
| TPSA: | 81.32 | NumAromaticRings: | 0 |
