Glycoside
GD151772
Name:
Erythromycin AnalogueFormula:
C41H71O12NSmiles:
COC1(C)CC(OC2C(C)C(=O)OC(CC3=CCCC3)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(CC3=CCCC3)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: | 0.9 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 770.01 | Num_heavy_atoms: | 54 |
| TPSA: | 173.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60491
Formula: C33H57O9N
Smiles:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(CC3=CCCC3)C(C)C(O)C(C)C(=O)C(C)CC2(C)O)O1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 611.82 | Num_heavy_atoms: | 43 |
| TPSA: | 145.99 | NumAromaticRings: | 0 |
