Glycoside
GD128520
Name:
1-[8-({6-[2-(4-ethyl-1H-pyrrol-3-yl)-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl]ethan-1-oneFormula:
C27H33O9NSmiles:
CCc1c[nH]cc1CC(O)C1OC(Oc2cc(OC)cc3cc(C)c(C(C)=O)c(O)c23)C(O)C(O)C1OAglycone:
CCc1c[nH]cc1CCO.COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 515.56 | Num_heavy_atoms: | 37 |
| 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 |
AD45994
Formula: C8H13ON
Smiles:
CCc1c[nH]cc1CCO| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 139.2 | Num_heavy_atoms: | 10 |
| TPSA: | 36.02 | NumAromaticRings: | 1 |
