Glycoside
GD134772
Name:
1-(8-{[6-(4-amino-1-hydroxycyclohex-2-en-1-yl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxy-5-(hydroxymethyl)-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-oneFormula:
C26H33O10NSmiles:
COc1cc(OC2OC(C3(O)C=CC(N)CC3)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1COAglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1CO.NC1C=CC(O)CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 519.55 | Num_heavy_atoms: | 37 |
| TPSA: | 192.16 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD48272
Formula: C6H11ON
Smiles:
NC1C=CC(O)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
