Glycoside
GD143256
Name:
6-Deoxy-13-Cyclopropyl-Erythromycin BFormula:
C38H67O11NSmiles:
COC1(C)CC(OC2C(C)C(=O)OC(C3CC3)C(C)C(O)C(C)C(=O)C(C)CC(C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1OAglycone:
CC1CC(N(C)C)C(O)C(OC2C(C)CC(C)C(=O)C(C)C(O)C(C)C(C3CC3)OC(=O)C(C)C(O)C2C)O1Sugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 713.95 | Num_heavy_atoms: | 50 |
| TPSA: | 153.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD57630
Formula: C30H53O8N
Smiles:
CC1CC(N(C)C)C(O)C(OC2C(C)CC(C)C(=O)C(C)C(O)C(C)C(C3CC3)OC(=O)C(C)C(O)C2C)O1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 555.75 | Num_heavy_atoms: | 39 |
| TPSA: | 125.76 | NumAromaticRings: | 0 |
