Glycoside
GD153614
Name:
Kujimycin AFormula:
C40H70O15Smiles:
COC1CC(C)OC(OC2C(C)CC(C)(O)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(O)C(C)O3)C2C)C1OAglycone:
CC(=O)OC1C(C)C(=O)C(C)(O)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)C1O.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 790.99 | Num_heavy_atoms: | 55 |
| TPSA: | 205.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD52522
Formula: C25H44O9
Smiles:
CC(=O)OC1C(C)C(=O)C(C)(O)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(C)O)C1C| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.62 | Num_heavy_atoms: | 34 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
