Glycoside
GD132530
Name:
6-[1-hydroxy-1-(10-hydroxy-10a,12a-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-1-yl)ethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-oneFormula:
C35H54O10Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2CCCC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC32C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)(O)C2CCCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD53664
Formula: C29H44O5
Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2CCCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
