Glycoside
GD000862
Name:
NEUTRAMYCINFormula:
C35H56O13Smiles:
C=C1C=C[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2OC)CC[C@@](C)(O)C(=O)C=C[C@@H]2O[C@H]2[C@H](CO[C@@H]2O[C@H](C)C[C@H](OC)[C@H]2O)[C@H](C)O1Aglycone:
C=C1C=CC(C)C(O)CCC(C)(O)C(=O)C=CC2OC2C(CO)C(C)O1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OC.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 684.82 | Num_heavy_atoms: | 48 |
| TPSA: | 164.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD00899
Formula: C20H30O6
Smiles:
C=C1C=CC(C)C(O)CCC(C)(O)C(=O)C=CC2OC2C(CO)C(C)O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 366.45 | Num_heavy_atoms: | 26 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
