Glycoside
GD148311
Name:
2,6b,9,9,12a-pentamethyl-4a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-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-6a-carboxylic acidFormula:
C41H64O14Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD52546
Formula: C29H44O5
Smiles:
CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(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 |
