Glycoside
GD141173
Name:
4B-O-Methyl-4A,4E-Di-O-Acetyl-Prechromomycin BFormula:
C58H78O26Smiles:
COC1C(O)=C(C(C)=O)C(=O)C2(OC3CC(OC4CC(OC5CC(C)(O)C(OC(C)=O)C(C)O5)C(O)C(C)O4)C(O)C(C)O3)C(=O)c3c(cc4cc(OC5CC(OC6CC(O)C(OC)C(C)O6)C(OC(C)=O)C(C)O5)c(C)c(O)c4c3O)CC12Aglycone:
COC1C(O)=C(C(C)=O)C(=O)C2(O)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12Sugarmoiety:
CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1COther Identifiers
Properties
| HBA: | 26 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 15 |
| MolWt: | 1191.24 | Num_heavy_atoms: | 84 |
| TPSA: | 356.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD24585
Formula: C22H20O9
Smiles:
COC1C(O)=C(C(C)=O)C(=O)C2(O)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 428.39 | Num_heavy_atoms: | 31 |
| TPSA: | 161.59 | NumAromaticRings: | 2 |
Sugarmoiety
SD00864
CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O.COC1C(O)CC(OC2CC(O)OC(C)C2OC(C)=O)OC1C