Glycoside
GD122952
Name:
5,8-dihydroxy-4,6a,6b,8a,11,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acidFormula:
C42H68O16Smiles:
CC1(COC2OC(CO)C(O)C(O)C2O)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5C(O)CC43C)C2C1Aglycone:
CC1(CO)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5C(O)CC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 828.99 | Num_heavy_atoms: | 58 |
| TPSA: | 276.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD49591
Formula: C30H48O6
Smiles:
CC1(CO)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5C(O)CC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
