Glycoside
GD020299
Name:
NoneFormula:
C37H65O12NSmiles:
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)C)[C@H]2O)[C@]2(C)CC(C)C3(O2)O[C@@]1(C)[C@H](O)[C@H]3CAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C3(O2)OC1(C)C(O)C3CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 715.92 | Num_heavy_atoms: | 50 |
| TPSA: | 154.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD08082
Formula: C29H51O9N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C3(O2)OC1(C)C(O)C3C| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 557.73 | Num_heavy_atoms: | 39 |
| TPSA: | 127.15 | NumAromaticRings: | 0 |
