Glycoside
GD122383
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10,11-trihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C41H66O16Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(OC6OC(CO)C(O)C(O)C6O)C5CCC43C)C2C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(O)C5CCC43C)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 814.96 | Num_heavy_atoms: | 57 |
| TPSA: | 276.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD49310
Formula: C29H46O6
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(O)C5CCC43C)C2C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 490.68 | Num_heavy_atoms: | 35 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
