Glycoside
GD123673
Name:
NoneFormula:
C33H42O21Smiles:
OCC1OC(OC2=CC(O)=C[C]3[OH+]C(c4ccc(O)c(O)c4)=C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C32)C(O)C(O)C1OAglycone:
OC1=CC2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.55 |
| AlogP: | -4.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 774.68 | Num_heavy_atoms: | 54 |
| TPSA: | 351.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD44986
Formula: C15H13O6
Smiles:
OC1=CC2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.95 | NumAromaticRings: | 1 |
