Glycoside
GD149051
Name:
4A,4E-Di-O-Acetyl-3A-Des-(4B-O-Methyl-D-Oliosyl)-Prechromomycin BFormula:
C51H66O23Smiles:
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(O)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.CC(=O)OC1C(O)CC(O)OC1COther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 12 |
| MolWt: | 1047.07 | Num_heavy_atoms: | 74 |
| TPSA: | 328.49 | 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 |
