Glycoside
GD124873
Name:
4,6a,6b,11,11,14b-hexamethyl-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,9,10,11,12,14a,14b-octadecahydropicene-4-carboxylic acidFormula:
C42H64O15Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C(=O)O)C2CCC13CAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C(=O)O)C2CCC13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 808.96 | Num_heavy_atoms: | 57 |
| TPSA: | 253.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD48992
Formula: C30H44O5
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C(=O)O)C2CCC13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
