Glycoside
GD011810
Name:
NoneFormula:
C39H70O12NSmiles:
CCC1OC(=O)C(C)C(O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)C(C)[C@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC([N+](C)(C)CC)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 744.98 | Num_heavy_atoms: | 52 |
| TPSA: | 162.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD08975
Formula: C31H56O9N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC([N+](C)(C)CC)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 586.79 | Num_heavy_atoms: | 41 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
