Glycoside
GD004342
Name:
NoneFormula:
C39H69O12NSmiles:
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@H](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: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 743.98 | Num_heavy_atoms: | 52 |
| TPSA: | 154.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD03804
Formula: C31H55O9N
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: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 585.78 | Num_heavy_atoms: | 41 |
| TPSA: | 127.15 | NumAromaticRings: | 0 |
