Glycoside
GD007324
Name:
NoneFormula:
C38H68O12NSmiles:
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)C)[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)C)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: | 3.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 730.96 | Num_heavy_atoms: | 51 |
| TPSA: | 162.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD05975
Formula: C30H54O9N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC([N+](C)(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 572.76 | Num_heavy_atoms: | 40 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
