Glycoside
GD120718
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C36H56O13Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CC(=O)C4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 696.83 | Num_heavy_atoms: | 49 |
| TPSA: | 234.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD48525
Formula: C30H46O8
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 534.69 | Num_heavy_atoms: | 38 |
| TPSA: | 155.52 | NumAromaticRings: | 0 |
