Glycoside
GD151949
Name:
NoneFormula:
C21H22O12Smiles:
OCC1OC(OC2=C(c3ccc(O)c(O)c3)[OH+][C]3C=C(O)C(O)=C(O)C3=C2)C(O)C(O)C1OAglycone:
OC1=CC2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.29 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 213.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD59807
Formula: C15H13O7
Smiles:
OC1=CC2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 134.18 | NumAromaticRings: | 1 |
