Glycoside
GD114197
Name:
2-{[3-hydroxy-8a-methyl-4-methylidene-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-decahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H46O13Smiles:
C=C1C(O)C(OC2OC(CO)C(O)C(O)C2O)CC2(C)CCC(C(C)(C)OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
C=C1C(O)C(O)CC2(C)CCC(C(C)(C)O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.65 | Num_heavy_atoms: | 40 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD44891
Formula: C15H26O3
Smiles:
C=C1C(O)C(O)CC2(C)CCC(C(C)(C)O)CC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
