Glycoside
GD114181
Name:
2-(acetyloxy)-1-(2,4b,8,8-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl)ethyl acetateFormula:
C30H48O10Smiles:
CC(=O)OCC(OC(C)=O)C1(C)C=C2CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC3(C)C2CC1Aglycone:
CC(=O)OCC(OC(C)=O)C1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.7 | Num_heavy_atoms: | 40 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD44881
Formula: C24H38O5
Smiles:
CC(=O)OCC(OC(C)=O)C1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 406.56 | Num_heavy_atoms: | 29 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
