Glycoside
GD124162
Name:
NoneFormula:
C27H32O17Smiles:
CC1OC(OCC2OC(OC3=C(c4cc(O)c(O)c(O)c4)[OH+][C]4C=C(O)C(O)=C(O)C4=C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=CC2[OH+]C(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.44 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 628.54 | Num_heavy_atoms: | 44 |
| TPSA: | 292.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD50138
Formula: C15H13O8
Smiles:
OC1=CC2[OH+]C(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.07 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 321.26 | Num_heavy_atoms: | 23 |
| TPSA: | 154.41 | NumAromaticRings: | 1 |
