Glycoside
GD126069
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C36H58O10Smiles:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49066
Formula: C30H48O5
Smiles:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
