Glycoside
GD151341
Name:
2-[1-(carboxymethyl)-10-hydroxy-1,4a,4b,9,10-pentamethyl-6a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-2-yl]-2-methylpropanoic acidFormula:
C36H56O12Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C(C)(CC(=O)O)C(C(C)(C)C(=O)O)CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C(C)(CC(=O)O)C(C(C)(C)C(=O)O)CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 680.83 | Num_heavy_atoms: | 48 |
| TPSA: | 211.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD60367
Formula: C30H46O7
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C(C)(CC(=O)O)C(C(C)(C)C(=O)O)CCC43C)C2C1(C)O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.69 | Num_heavy_atoms: | 37 |
| TPSA: | 132.13 | NumAromaticRings: | 0 |
