Glycoside
GD125058
Name:
Oasomycin CFormula:
C61H106O23Smiles:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(O)C(C)C(CCC(=O)O)OC1=OAglycone:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(O)C(C)C(CCC(=O)O)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 2 |
| HBD: | 18 | FractionCSP3: | 0.8 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 1207.5 | Num_heavy_atoms: | 84 |
| TPSA: | 425.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD50566
Formula: C55H96O18
Smiles:
CC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(O)C(C)C(CCC(=O)O)OC1=O| HBA: | 18 | RingCount: | 1 |
| HBD: | 15 | FractionCSP3: | 0.78 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 1045.36 | Num_heavy_atoms: | 73 |
| TPSA: | 346.82 | NumAromaticRings: | 0 |
