Glycoside
GD134962
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,11-dihydroxy-9,10-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C37H60O11Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(CO)C(C)(CO)C5CCC43C)C2C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(CO)C(C)(CO)C5CCC43C)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 680.88 | Num_heavy_atoms: | 48 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD54596
Formula: C31H50O6
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(CO)C(C)(CO)C5CCC43C)C2C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 518.74 | Num_heavy_atoms: | 37 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
