Glycoside
GD147912
Name:
Mycinamicin XiFormula:
C42H70O16N2SSmiles:
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)C2OC2C1(O)COC1OC(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)C2OC2C1(O)COSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 14 |
| MolWt: | 891.09 | Num_heavy_atoms: | 61 |
| TPSA: | 245.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD59214
Formula: C34H56O12N2S
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)C2OC2C1(O)CO| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 716.89 | Num_heavy_atoms: | 49 |
| TPSA: | 208.18 | NumAromaticRings: | 0 |
