Glycoside
GD016859
Name:
3 9-DIHYDRO-N-DESMETHYL-N-ISOPROPYLERYTHROMYCIN AFormula:
C39H73O13NSmiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 764.01 | Num_heavy_atoms: | 53 |
| TPSA: | 197.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD12086
Formula: C31H59O10N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 605.81 | Num_heavy_atoms: | 42 |
| TPSA: | 169.38 | NumAromaticRings: | 0 |
