Glycoside
GD144972
Name:
3,4,5-trihydroxyoxan-2-yl 1,10,11,12-tetrahydroxy-9-(hydroxymethyl)-1,2,6a,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:
C35H56O11Smiles:
CC1CCC2(C(=O)OC3OCC(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 652.82 | Num_heavy_atoms: | 46 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD58221
Formula: C30H48O7
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)O| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 520.71 | Num_heavy_atoms: | 37 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
