Glycoside
GD026359
Name:
NoneFormula:
C45H72O9N3FSmiles:
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](N(C)C)[C@H]2O)[C@H](CCN2CC(C)CC(C)C2)C[C@H](C)C(=NOCc2ccc(F)cc2)C=CC(C)=CC1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCc2ccc(F)cc2)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 11 |
| MolWt: | 818.08 | Num_heavy_atoms: | 58 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD17383
Formula: C37H57O6N2F
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCc2ccc(F)cc2)C=CC(C)=CC1CO| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 644.87 | Num_heavy_atoms: | 46 |
| TPSA: | 111.82 | NumAromaticRings: | 1 |
