Glycoside
GD146502
Name:
1-(8-{[6-(4-amino-1-hydroxycyclohex-2-en-1-yl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-oneFormula:
C25H31O9NSmiles:
COc1cc(OC2OC(C3(O)C=CC(N)CC3)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1.NC1C=CC(O)CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 489.52 | Num_heavy_atoms: | 35 |
| TPSA: | 171.93 | NumAromaticRings: | 2 |
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 |
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 |
