Glycoside
GD130446
Name:
2-[(2-{6-[5-hydroxy-3-(2-hydroxypropan-2-yl)-6a,9b-dimethyl-dodecahydroindeno[5,4-b]pyran-7-yl]-4a-methyl-3,4,4a,7,8,8a-hexahydro-2H-1-benzopyran-2-yl}propan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H60O10Smiles:
CC(C)(O)C1CCC2(C)C(O1)C(O)CC1(C)C(C3=CC4(C)CCC(C(C)(C)OC5OC(CO)C(O)C(O)C5O)OC4CC3)CCC12Aglycone:
CC(C)(O)C1CCC2(C)C=C(C3CCC4C3(C)CC(O)C3OC(C(C)(C)O)CCC34C)CCC2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD46453
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC2(C)C=C(C3CCC4C3(C)CC(O)C3OC(C(C)(C)O)CCC34C)CCC2O1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
