Glycoside
GD119752
Name:
Neutramycin BFormula:
C33H52O14Smiles:
COC1C(OCC2C(C)OC(=O)C=CC(C)C(OC3OC(C)CC(O)C3O)CCC(C)(O)C(=O)C=CC3OC32)OC(C)C(O)C1OCAglycone:
CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CCC1OSugarmoiety:
CC1CC(O)C(O)C(O)O1.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 672.77 | Num_heavy_atoms: | 47 |
| TPSA: | 192.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD48034
Formula: C19H28O7
Smiles:
CC1C=CC(=O)OC(C)C(CO)C2OC2C=CC(=O)C(C)(O)CCC1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.43 | Num_heavy_atoms: | 26 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
