Glycoside
GD141885
Name:
4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,7H,7aH-cyclopenta[c]pyran-7-yl acetateFormula:
C17H26O10Smiles:
CC(=O)OC1(C)C=CC2(O)CCOC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC(=O)OC1(C)C=CC2(O)CCOC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 27 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD57125
Formula: C11H16O5
Smiles:
CC(=O)OC1(C)C=CC2(O)CCOC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
