Glycoside
GD006986
Name:
NoneFormula:
C46H81O19NSmiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC(C)=O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[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)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 952.14 | Num_heavy_atoms: | 66 |
| TPSA: | 268.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD00774
Formula: C30H55O10N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 589.77 | Num_heavy_atoms: | 41 |
| TPSA: | 155.22 | NumAromaticRings: | 0 |
