Glycoside
GD152054
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,8,10,11-tetrahydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C37H60O12Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2(C)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2(C)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 696.88 | Num_heavy_atoms: | 49 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD60576
Formula: C31H50O7
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2(C)C1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 534.73 | Num_heavy_atoms: | 38 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
