Glycoside
GD022336
Name:
NoneFormula:
C39H67O12NSmiles:
CCC1OC(=O)C(C)C(O[C@@H]2C[C@@](C)(OC)[C@H](O)C(C)O2)C(C)[C@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OCAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CC)C2O)C2(C)CC(C)=C(O2)C(C)C(=O)C1(C)OCSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 741.96 | Num_heavy_atoms: | 52 |
| TPSA: | 151.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD15156
Formula: C31H53O9N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CC)C2O)C2(C)CC(C)=C(O2)C(C)C(=O)C1(C)OC| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 583.76 | Num_heavy_atoms: | 41 |
| TPSA: | 123.99 | NumAromaticRings: | 0 |
