Glycoside
GD157696
Name:
Desertomycin BFormula:
C61H106O22Smiles:
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(C(C)C2CCC(O)O2)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(C(C)C2CCC(O)O2)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.82 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 1191.5 | Num_heavy_atoms: | 83 |
| TPSA: | 397.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD62324
Formula: C55H96O17
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(C(C)C2CCC(O)O2)OC1=O| HBA: | 17 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.8 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 1029.36 | Num_heavy_atoms: | 72 |
| TPSA: | 318.75 | NumAromaticRings: | 0 |
