Glycoside
GD152863
Name:
1-(8-{[6-(3-ethyl-5-hydroxy-4,5-dihydro-1H-indol-5-yl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-oneFormula:
C29H33O9NSmiles:
CCc1c[nH]c2c1CC(O)(C1OC(Oc3cc(OC)cc4cc(C)c(C(C)=O)c(O)c34)C(O)C(O)C1O)C=C2Aglycone:
CCc1c[nH]c2c1CC(O)C=C2.COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 539.58 | Num_heavy_atoms: | 39 |
| TPSA: | 161.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD15787
Formula: C14H14O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
AD60828
Formula: C10H13ON
Smiles:
CCc1c[nH]c2c1CC(O)C=C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 36.02 | NumAromaticRings: | 1 |
