Glycoside
GD157370
Name:
NoneFormula:
C21H22O10Smiles:
OCC1OC(OC2=C(c3ccc(O)c(O)c3)[OH+][C]3C=C(O)C=CC3=C2)C(O)C(O)C1OAglycone:
OC1=CC2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C2C=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 172.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD50988
Formula: C15H13O5
Smiles:
OC1=CC2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C2C=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.26 | Num_heavy_atoms: | 20 |
| TPSA: | 93.72 | NumAromaticRings: | 1 |
