Glycoside
GD125100
Name:
2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acidFormula:
C41H62O16Smiles:
C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.85 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 810.93 | Num_heavy_atoms: | 57 |
| TPSA: | 273.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD49068
Formula: C29H42O6
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.65 | Num_heavy_atoms: | 35 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
