Glycoside
GD145001
Name:
methyl 7-methyl-6-(7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbonyloxy)-3-oxo-octahydrocyclopenta[c]pyran-4-carboxylateFormula:
C27H38O13Smiles:
COC(=O)C1C(=O)OCC2C(C)C(OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C(C)CCC34)CC12Aglycone:
COC(=O)C1C(=O)OCC2C(C)C(OC(=O)C3=COC(O)C4C(C)CCC34)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 570.59 | Num_heavy_atoms: | 40 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD58231
Formula: C21H28O8
Smiles:
COC(=O)C1C(=O)OCC2C(C)C(OC(=O)C3=COC(O)C4C(C)CCC34)CC12| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
