Glycoside
GD142158
Name:
8,15-DideoxylankamycinFormula:
C42H72O14Smiles:
CCC(C)C1OC(=O)C(C)C(OC2CC(C)(OC)C(OC(C)=O)C(C)O2)C(C)C(OC2OC(C)CC(OC)C2O)C(C)CC(C)C(=O)C(C)C(OC(C)=O)C1CAglycone:
CCC(C)C1OC(=O)C(C)C(O)C(C)C(O)C(C)CC(C)C(=O)C(C)C(OC(C)=O)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OC(C)=O.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 801.02 | Num_heavy_atoms: | 56 |
| TPSA: | 171.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD57216
Formula: C25H44O7
Smiles:
CCC(C)C1OC(=O)C(C)C(O)C(C)C(O)C(C)CC(C)C(=O)C(C)C(OC(C)=O)C1C| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 456.62 | Num_heavy_atoms: | 32 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
