Glycoside
GD126096
Name:
7-(2,2-dimethyl-1,3-dioxolan-4-yl)-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:
C29H46O9Smiles:
CC1(C)OCC(C2(C)C=C3CCC4C(C)(COC5OC(CO)C(O)C(O)C5O)CC(=O)CC4(C)C3CC2)O1Aglycone:
CC1(C)OCC(C2(C)C=C3CCC4C(C)(CO)CC(=O)CC4(C)C3CC2)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 538.68 | Num_heavy_atoms: | 38 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51004
Formula: C23H36O4
Smiles:
CC1(C)OCC(C2(C)C=C3CCC4C(C)(CO)CC(=O)CC4(C)C3CC2)O1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.54 | Num_heavy_atoms: | 27 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
