Glycoside
GD119668
Name:
1-[8-({6-[2-(4-ethyl-1H-pyrrol-3-yl)-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-1-hydroxy-5-(hydroxymethyl)-6-methoxy-3-methylnaphthalen-2-yl]ethan-1-oneFormula:
C28H35O10NSmiles:
CCc1c[nH]cc1CC(O)C1OC(Oc2cc(OC)c(CO)c3cc(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)cc2c1COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 545.59 | Num_heavy_atoms: | 39 |
| TPSA: | 181.93 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD47988
Formula: C15H16O5
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
