Glycoside
GD026115
Name:
2-[(4-ethenyl-7,8-dihydroxy-13-oxo-3,4,4a,5,5a,10,11,13-octahydro-2-oxa-12-azatetraphen-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C35H39O14NSmiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(=O)C=Cc2cc(OC)c(O)c(OC)c2)OC=C2C(=O)N3CCc4cc(O)c(O)cc4[C@H]3C[C@H]21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(O)c(O)cc4C3CC21.COc1cc(C=CC(=O)O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 697.69 | Num_heavy_atoms: | 50 |
| TPSA: | 214.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD03983
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
AD17239
Formula: C18H19O5N
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4cc(O)c(O)cc4C3CC21| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 329.35 | Num_heavy_atoms: | 24 |
| TPSA: | 90.23 | NumAromaticRings: | 1 |
