Glycoside
GD152883
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7-(1,2-dihydroxyethyl)-1,4a,7-trimethyl-3-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylateFormula:
C26H40O10Smiles:
CC1(C(O)CO)C=C2CCC3C(C)(C(=O)OC4OC(CO)C(O)C(O)C4O)CC(=O)CC3(C)C2CC1Aglycone:
CC1(C(O)CO)C=C2CCC3C(C)(C(=O)O)CC(=O)CC3(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 512.6 | Num_heavy_atoms: | 36 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD60834
Formula: C20H30O5
Smiles:
CC1(C(O)CO)C=C2CCC3C(C)(C(=O)O)CC(=O)CC3(C)C2CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 350.46 | Num_heavy_atoms: | 25 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
