Glycoside
GD126416
Name:
8-DeoxylankamycinFormula:
C42H72O15Smiles:
COC1CC(C)OC(OC2C(C)CC(C)C(=O)C(C)C(OC(C)=O)C(C)C(C(C)C(C)O)OC(=O)C(C)C(OC3CC(C)(OC)C(OC(C)=O)C(C)O3)C2C)C1OAglycone:
CC(=O)OC1C(C)C(=O)C(C)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(C)O)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OC(C)=O.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 817.02 | Num_heavy_atoms: | 57 |
| TPSA: | 191.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD51151
Formula: C25H44O8
Smiles:
CC(=O)OC1C(C)C(=O)C(C)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(C)O)C1C| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 472.62 | Num_heavy_atoms: | 33 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
