Glycoside
GD118529
Name:
2-{[2-(5-hydroxy-6-{10-[3-hydroxy-3-methyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)oxan-2-yl]-3,8-dimethyldeca-3,7-dien-1-yl}-5-methyloxan-2-yl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H74O16Smiles:
CC(=CCCC=C(C)CCC1OC(C(C)(C)OC2OC(CO)C(O)C(O)C2O)CCC1(C)O)CCC1OC(C(C)(C)OC2OC(CO)C(O)C(O)C2O)CCC1(C)OAglycone:
CC(=CCCC=C(C)CCC1OC(C(C)(C)O)CCC1(C)O)CCC1OC(C(C)(C)O)CCC1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 17 |
| MolWt: | 835.04 | Num_heavy_atoms: | 58 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47411
Formula: C30H54O6
Smiles:
CC(=CCCC=C(C)CCC1OC(C(C)(C)O)CCC1(C)O)CCC1OC(C(C)(C)O)CCC1(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 510.76 | Num_heavy_atoms: | 36 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
