Glycoside
GD129943
Name:
5-ethenyl-3-({6-[2-(4-hydroxyphenyl)ethyl]pyridin-2-yl}methyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C30H35O10NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(Cc3cccc(CCc4ccc(O)cc4)n3)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(Cc3cccc(CCc4ccc(O)cc4)n3)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 569.61 | Num_heavy_atoms: | 41 |
| TPSA: | 168.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD52645
Formula: C24H25O5N
Smiles:
C=CC1C(O)OC=C2C(=O)OC(Cc3cccc(CCc4ccc(O)cc4)n3)CC21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 407.47 | Num_heavy_atoms: | 30 |
| TPSA: | 88.88 | NumAromaticRings: | 2 |
