Glycoside
GD018949
Name:
NoneFormula:
C54H88O12N3FSmiles:
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)=CC1CO[C@@H]1C[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCc2ccc(F)cc2)C=CC(C)=CC1COC1CC(C)C(O)C(OC)C1OCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 6.15 | Num_rotatable_bonds: | 15 |
| MolWt: | 990.3 | Num_heavy_atoms: | 70 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD13280
Formula: C46H73O9N2F
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCc2ccc(F)cc2)C=CC(C)=CC1COC1CC(C)C(O)C(OC)C1OC| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 6.73 | Num_rotatable_bonds: | 12 |
| MolWt: | 817.09 | Num_heavy_atoms: | 58 |
| TPSA: | 139.51 | NumAromaticRings: | 1 |
