Glycoside
GD138540
Name:
Gypsogenin 3-O-Rhamnosylglucosiduronic AcidFormula:
C42H64O14Smiles:
CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C=O)OC(C(=O)O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(C(=O)O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 792.96 | Num_heavy_atoms: | 56 |
| TPSA: | 229.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD03275
Formula: C30H46O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
