Glycoside
GD143205
Name:
7-(1,2-dihydroxyethyl)-1,4a,7-trimethyl-1-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-3-oneFormula:
C26H42O9Smiles:
CC1(C(O)CO)C=C2CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)CC(=O)CC3(C)C2CC1Aglycone:
CC1(C(O)CO)C=C2CCC3C(C)(CO)CC(=O)CC3(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.61 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD57604
Formula: C20H32O4
Smiles:
CC1(C(O)CO)C=C2CCC3C(C)(CO)CC(=O)CC3(C)C2CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
