Glycoside
GD124648
Name:
Jamutannin AFormula:
C25H32O13Smiles:
CC(C=CCC1C(=O)CCC1CC(=O)O)OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
CC(O)C=CCC1C(=O)CCC1CC(=O)O.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 220.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD50367
Formula: C12H18O4
Smiles:
CC(O)C=CCC1C(=O)CCC1CC(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 226.27 | Num_heavy_atoms: | 16 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
