Glycoside
GD145034
Name:
1-(7-hydroxy-2,4b,8,8-tetramethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethan-1-oneFormula:
C26H42O8Smiles:
CC1(C(=O)COC2OC(CO)C(O)C(O)C2O)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1Aglycone:
CC1(C(=O)CO)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.61 | Num_heavy_atoms: | 34 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58243
Formula: C20H32O3
Smiles:
CC1(C(=O)CO)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
