Glycoside
GD115516
Name:
Mycinamicin XFormula:
C42H70O15N2SSmiles:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)CC(SCC(N=C(C)O)C(=O)O)C2OC2C1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)CC(SCC(N=C(C)O)C(=O)O)C2OC2C1COSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 14 |
| MolWt: | 875.09 | Num_heavy_atoms: | 60 |
| TPSA: | 224.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD45710
Formula: C34H56O11N2S
Smiles:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)CC(SCC(N=C(C)O)C(=O)O)C2OC2C1CO| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 700.89 | Num_heavy_atoms: | 48 |
| TPSA: | 187.95 | NumAromaticRings: | 0 |
