Glycoside
GD013529
Name:
NoneFormula:
C37H63O12NSmiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](C)C[C@H](C)C(=O)C=CC(C)=C[C@H]1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(C)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 713.91 | Num_heavy_atoms: | 50 |
| TPSA: | 184.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD01067
Formula: C22H36O6
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(C)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 396.52 | Num_heavy_atoms: | 28 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
