Glycoside
GD131019
Name:
NoneFormula:
C30H38O17Smiles:
COC1=C[C]2[OH+]C(c3cc(OC)c(O)c(OC)c3)=C(OC3OC(CO)C(O)C(O)C3O)C=C2C(OC2OC(CO)C(O)C(O)C2O)=C1Aglycone:
COC1=CC2[OH+]C(c3cc(OC)c(O)c(OC)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 670.62 | Num_heavy_atoms: | 47 |
| TPSA: | 259.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD53094
Formula: C18H19O7
Smiles:
COC1=CC2[OH+]C(c3cc(OC)c(O)c(OC)c3)=C(O)C=C2C(O)=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.34 | Num_heavy_atoms: | 25 |
| TPSA: | 101.18 | NumAromaticRings: | 1 |
