Glycoside
GD137845
Name:
NoneFormula:
C33H42O22Smiles:
OCC1OC(OC2=C[C](O)C3=CC(OC4OC(CO)C(O)C(O)C4O)=C(c4cc(O)c(O)c(OC5OC(CO)C(O)C(O)C5O)c4)[OH+]C3=C2)C(O)C(O)C1OAglycone:
OC1=CC(O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)[OH+]C2=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 16 | FractionCSP3: | 0.55 |
| AlogP: | -5.7 | Num_rotatable_bonds: | 10 |
| MolWt: | 790.68 | Num_heavy_atoms: | 55 |
| TPSA: | 371.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD44981
Formula: C15H13O7
Smiles:
OC1=CC(O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)[OH+]C2=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 |
