Glycoside
GD147480
Name:
3,4,5,6-tetrahydroxyoxan-2-yl 1,9,10,11-tetrahydroxy-2,2-dimethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C30H46O11Smiles:
CC1(C)CCC2(C(=O)OC3OC(O)C(O)C(O)C3O)CCC3C(=CCC4C3CCC3C(O)C(O)C(O)CC34)C2C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3CCC3C(O)C(O)C(O)CC34)C2C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 582.69 | Num_heavy_atoms: | 41 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD59061
Formula: C25H38O6
Smiles:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3CCC3C(O)C(O)C(O)CC34)C2C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 434.57 | Num_heavy_atoms: | 31 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
