Glycoside
GD146292
Name:
17-MethylenespiramycinFormula:
C44H74O14N2Smiles:
C=C(C=O)C1CC(C)C(OC2CCC(N(C)C)C(C)O2)C=CC=CCC(C)OC(=O)CC(O)C(OC)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1OAglycone:
C=C(C=O)C1CC(C)C(OC2CCC(N(C)C)C(C)O2)C=CC=CCC(C)OC(=O)CC(O)C(OC)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 855.08 | Num_heavy_atoms: | 60 |
| TPSA: | 195.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD58675
Formula: C29H47O8N
Smiles:
C=C(C=O)C1CC(C)C(OC2CCC(N(C)C)C(C)O2)C=CC=CCC(C)OC(=O)CC(O)C(OC)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 537.69 | Num_heavy_atoms: | 38 |
| TPSA: | 114.76 | NumAromaticRings: | 0 |
