Glycoside
GD020312
Name:
NoneFormula:
C39H74O12N2Smiles:
CCN[C@@H]1[C@H](C)[C@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H]1CAglycone:
CCNC1C(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 763.02 | Num_heavy_atoms: | 53 |
| TPSA: | 188.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD14043
Formula: C31H60O9N2
Smiles:
CCNC1C(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 604.83 | Num_heavy_atoms: | 42 |
| TPSA: | 161.18 | NumAromaticRings: | 0 |
