Glycoside
GD139151
Name:
2-{[7-(1,2-dihydroxyethyl)-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H44O8Smiles:
CC1(C)CC(OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CCC(C)(C(O)CO)C=C3CCC12Aglycone:
CC1(C)CC(O)CC2(C)C3CCC(C)(C(O)CO)C=C3CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.63 | Num_heavy_atoms: | 34 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD56111
Formula: C20H34O3
Smiles:
CC1(C)CC(O)CC2(C)C3CCC(C)(C(O)CO)C=C3CCC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
