Glycoside
GD123875
Name:
13-Cyclopentyl-13-Desmethyl-ErythromycinFormula:
C40H71O12NSmiles:
COC1(C)CC(OC2C(C)C(=O)OC(C3CCCC3)C(C)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1OAglycone:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(C3CCCC3)C(C)C(O)C(C)C(=O)C(C)CC2(C)O)O1Sugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 758.0 | Num_heavy_atoms: | 53 |
| TPSA: | 173.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50017
Formula: C32H57O9N
Smiles:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(C3CCCC3)C(C)C(O)C(C)C(=O)C(C)CC2(C)O)O1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 599.81 | Num_heavy_atoms: | 42 |
| TPSA: | 145.99 | NumAromaticRings: | 0 |
