Glycoside
GD147963
Name:
4C,4E-Diketoprechromomycin BFormula:
C53H68O24Smiles:
COC1C(O)=C(C(C)=O)C(=O)C2(OC3CC(OC4CC(OC5CC(C)(O)C(=O)C(C)O5)C(O)C(C)O4)C(=O)C(C)O3)C(=O)c3c(cc4cc(OC5CC(OC6CC(O)C(O)C(C)O6)C(O)C(C)O5)c(C)c(O)c4c3O)CC12Aglycone:
CC1OC(O)CC(C)(O)C1=O.COC1C(O)=C(C(C)=O)C(=O)C2(OC3CC(O)C(=O)C(C)O3)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12Sugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 12 |
| MolWt: | 1089.1 | Num_heavy_atoms: | 77 |
| TPSA: | 348.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD48732
Formula: C7H12O4
Smiles:
CC1OC(O)CC(C)(O)C1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 160.17 | Num_heavy_atoms: | 11 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD59229
Formula: C28H28O12
Smiles:
COC1C(O)=C(C(C)=O)C(=O)C2(OC3CC(O)C(=O)C(C)O3)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 556.52 | Num_heavy_atoms: | 40 |
| TPSA: | 197.12 | NumAromaticRings: | 2 |
