Glycoside
GD151283
Name:
NoneFormula:
C32H40O21Smiles:
OCC1OC(OC2=CC(O)=C[C]3[OH+]C(c4cc(O)c(O)c(O)c4)=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C=C32)C(O)C(O)C1OAglycone:
OC1=CC2[OH+]C(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.53 |
| AlogP: | -4.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 760.65 | Num_heavy_atoms: | 53 |
| TPSA: | 351.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD44919
Formula: C15H13O7
Smiles:
OC1=CC2[OH+]C(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 134.18 | NumAromaticRings: | 1 |
