Glycoside
GD114352
Name:
10-hydroxy-2,2,6b,9,9-pentamethyl-6a-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]carbonyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C35H54O9Smiles:
CC1OC(OC(=O)C23CCC4(C(=O)O)CCC(C)(C)CC4C2=CCC2C4CCC(O)C(C)(C)C4CCC23C)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 618.81 | Num_heavy_atoms: | 44 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD45005
Formula: C29H44O5
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 5.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
