Glycoside
GD128492
Name:
3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acidFormula:
C35H50O12Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)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:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 662.77 | Num_heavy_atoms: | 47 |
| TPSA: | 211.28 | 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 |
