Glycoside
GD144454
Name:
Antibiotic 250-144CFormula:
C35H58O12Smiles:
COC1CC(C)OC(OC2C(C)C=CC(=O)OC(C)C(COC3OC(C)C(O)C(OC)C3OC)C=CCCC(=O)C(C)CC2C)C1OAglycone:
CC1CC(C)C(O)C(C)C=CC(=O)OC(C)C(CO)C=CCCC1=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OC.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 670.84 | Num_heavy_atoms: | 47 |
| TPSA: | 148.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD14762
Formula: C20H32O5
Smiles:
CC1CC(C)C(O)C(C)C=CC(=O)OC(C)C(CO)C=CCCC1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
