Glycoside
GD118086
Name:
9-(1,2-dihydroxyethyl)-4,11-dihydroxy-2-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-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:
C36H58O12Smiles:
CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(C(O)CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 682.85 | Num_heavy_atoms: | 48 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD47174
Formula: C31H50O8
Smiles:
CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 550.73 | Num_heavy_atoms: | 39 |
| TPSA: | 158.68 | NumAromaticRings: | 0 |
