Glycoside

GD028211
Name:
NoneFormula:
C52H55O27Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@H]3[C@H](Oc4cc5c(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)O[C@H](COC(=O)C=Cc4ccc(O)c(O)c4)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(OC)c1.Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 27 | RingCount: | 8 |
HBD: | 15 | FractionCSP3: | 0.37 |
AlogP: | -0.67 | Num_rotatable_bonds: | 17 |
MolWt: | 1111.99 | Num_heavy_atoms: | 79 |
TPSA: | 431.96 | NumAromaticRings: | 5 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1HBA: | 4 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.18 |
AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
MolWt: | 208.21 | Num_heavy_atoms: | 15 |
TPSA: | 55.76 | NumAromaticRings: | 1 |
AD01529
Formula: C15H11O6
Smiles:
Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1HBA: | 6 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.0 |
AlogP: | 2.91 | Num_rotatable_bonds: | 1 |
MolWt: | 287.25 | Num_heavy_atoms: | 21 |
TPSA: | 112.45 | NumAromaticRings: | 3 |
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.1 |
AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
MolWt: | 194.19 | Num_heavy_atoms: | 14 |
TPSA: | 66.76 | NumAromaticRings: | 1 |