Glycoside
GD004197
Name:
PUQIETINONOSIDEFormula:
C34H57O7NSmiles:
C[C@@H]1CC[C@H]([C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC(=O)[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]23C)N(C)C1Aglycone:
CC1CCC(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)N(C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 591.83 | Num_heavy_atoms: | 42 |
| TPSA: | 119.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD03702
Formula: C28H47O2N
Smiles:
CC1CCC(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)N(C)C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 429.69 | Num_heavy_atoms: | 31 |
| TPSA: | 40.54 | NumAromaticRings: | 0 |
