Glycoside
GD140394
Name:
4-(2-{[4-(3,4-dihydroxyphenyl)butan-2-yl]amino}ethyl)-2-hydroxyphenyl 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanoateFormula:
C30H43O15NSmiles:
CC(CCc1ccc(O)c(O)c1)NCCc1ccc(OC(=O)C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)CO)c(O)c1Aglycone:
CC(CCc1ccc(O)c(O)c1)NCCc1cccc(O)c1Sugarmoiety:
O=C(OO)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.57 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 16 |
| MolWt: | 657.67 | Num_heavy_atoms: | 46 |
| TPSA: | 279.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD56611
Formula: C18H23O3N
Smiles:
CC(CCc1ccc(O)c(O)c1)NCCc1cccc(O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 301.39 | Num_heavy_atoms: | 22 |
| TPSA: | 72.72 | NumAromaticRings: | 2 |
