Glycoside
GD154532
Name:
2-hydroxy-1,6,6b,8,9,9,12a,13-octamethyl-10-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C37H60O8Smiles:
CC1C=C2C3C(C)C(O)CCC3(C(=O)O)CC(C)C2C2(C)CC(C)C3C(C)(C)C(OC4OC(C)C(O)C(O)C4O)CCC3(C)C12Aglycone:
CC1C=C2C3C(C)C(O)CCC3(C(=O)O)CC(C)C2C2(C)CC(C)C3C(C)(C)C(O)CCC3(C)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 632.88 | Num_heavy_atoms: | 45 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD61369
Formula: C31H50O4
Smiles:
CC1C=C2C3C(C)C(O)CCC3(C(=O)O)CC(C)C2C2(C)CC(C)C3C(C)(C)C(O)CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
