Glycoside
GD133451
Name:
Cucurbitacin G 2-O-Beta-D-GlucopyranosideFormula:
C36H56O13Smiles:
CC1(C)C(=O)C(OC2OC(CO)C(O)C(O)C2O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(O)C(C)(C)O)C(O)CC12CAglycone:
CC1(C)C(=O)C(O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(O)C(C)(C)O)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 696.83 | Num_heavy_atoms: | 49 |
| TPSA: | 231.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD54014
Formula: C30H46O8
Smiles:
CC1(C)C(=O)C(O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(O)C(C)(C)O)C(O)CC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.69 | Num_heavy_atoms: | 38 |
| TPSA: | 152.36 | NumAromaticRings: | 0 |
