Glycoside
GD143563
Name:
NoneFormula:
C22H26O11Smiles:
O=C(C=Cc1ccccc1)OCC1OC(OC2CC(C(=O)O)=CC(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccccc1.O=C(O)C1=CC(O)C(O)C(O)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD45974
Formula: C7H10O5
Smiles:
O=C(O)C1=CC(O)C(O)C(O)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 174.15 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
