Glycoside
GD157320
Name:
NoneFormula:
C21H22O11Smiles:
OCC1OC(OC2=Cc3c(cc(O)c(O)c3O)[OH+]C2=C2C=C[C](O)C=C2)C(O)C(O)C1OAglycone:
OC1=Cc2c(cc(O)c(O)c2O)[OH+]C1=C1C=CC(O)C=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 193.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD54005
Formula: C15H13O6
Smiles:
OC1=Cc2c(cc(O)c(O)c2O)[OH+]C1=C1C=CC(O)C=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.95 | NumAromaticRings: | 1 |
