Glycoside
GD122572
Name:
Hymenoside IFormula:
C28H32O12Smiles:
CC1CC(OC2OC(CO)C(O)C(OC(=O)Cc3ccc(O)cc3)C2OC(=O)Cc2ccc(O)cc2)CC(=O)O1Aglycone:
CC1CC(O)CC(=O)O1.O=C(O)Cc1ccc(O)cc1.O=C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.55 | Num_heavy_atoms: | 40 |
| TPSA: | 178.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD05358
Formula: C8H8O3
Smiles:
O=C(O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD49404
Formula: C6H10O3
Smiles:
CC1CC(O)CC(=O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
