Glycoside
GD120097
Name:
4a,6a,6b,11,11,14b-hexamethyl-2-{2,3,4-trihydroxy-1-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]butyl}-2H,4H,4aH,4bH,5H,6H,6aH,6bH,7H,8H,8aH,9H,10H,11H,12H,12aH,14H,14aH,14bH,15H,16H,16aH-piceno[3,4-d][1,3]dioxine-8a-carboxylic acidFormula:
C41H66O12Smiles:
CC1OC(OC(C2OCC3(C)C(CCC4(C)C3CCC3(C)C4CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC43C)O2)C(O)C(O)CO)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC6OCOCC6(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC(O)C(O)C(O)CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD18491
Formula: C31H48O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC6OCOCC6(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 7.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.72 | Num_heavy_atoms: | 35 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
