Glycoside
GD141558
Name:
3,4,5-trihydroxyoxan-2-yl 10-hydroxy-2,6a,9-tris(hydroxymethyl)-2,6b,9,12a-tetramethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C35H56O10Smiles:
CC1(CO)CCC2(C(=O)OC3OCC(O)C(O)C3O)CCC3(CO)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD50184
Formula: C30H48O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
