Glycoside
GD152603
Name:
2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acidFormula:
C36H56O10Smiles:
CC1(C)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)CC(O)CC(C)(C(=O)O)C4CCC3(C)C1(C)CC2C1OC(CO)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)CC(C)(C(=O)O)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 648.83 | Num_heavy_atoms: | 46 |
| TPSA: | 184.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD60750
Formula: C30H46O5
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)CC(C)(C(=O)O)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
