Glycoside
GD123612
Name:
Hymenoside JFormula:
C27H32O11Smiles:
CC(=CCO)COC1OC(CO)C(O)C(OC(=O)Cc2ccccc2)C1OC(=O)Cc1ccc(O)c(O)c1Aglycone:
CC(=CCO)CO.O=C(O)Cc1ccc(O)c(O)c1.O=C(O)Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 11 |
| MolWt: | 532.54 | Num_heavy_atoms: | 38 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00758
Formula: C8H8O4
Smiles:
O=C(O)Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD00909
Formula: C8H8O2
Smiles:
O=C(O)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD15409
Formula: C5H10O2
Smiles:
CC(=CCO)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
