Glycoside
GD126300
Name:
Spiramycin IiiFormula:
C46H78O15N2Smiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C1OCAglycone:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)C1OCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 13 |
| MolWt: | 899.13 | Num_heavy_atoms: | 63 |
| TPSA: | 201.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD49952
Formula: C31H51O9N
Smiles:
CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)C1OC| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 581.75 | Num_heavy_atoms: | 41 |
| TPSA: | 120.83 | NumAromaticRings: | 0 |
