Glycoside
GD006577
Name:
NoneFormula:
C46H68O14N2Smiles:
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](CCN2C(=O)c3ccccc3C2=O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2C(=O)c3ccccc3C2=O)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: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 873.05 | Num_heavy_atoms: | 62 |
| TPSA: | 222.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD01381
Formula: C31H41O8N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2C(=O)c3ccccc3C2=O)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 555.67 | Num_heavy_atoms: | 40 |
| TPSA: | 141.44 | NumAromaticRings: | 1 |
