Glycoside
GD155125
Name:
1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-4-(1H-pyrrol-3-yl)butane-1,4-dioneFormula:
C27H31O11NSmiles:
COc1cc(OC2OC(CO)C(O)C(O)C2(O)CO)c2c(O)c(C(=O)CCC(=O)c3cc[nH]c3)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCC(=O)c3cc[nH]c3)c(C)cc2c1Sugarmoiety:
OCC1OC(O)C(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 545.54 | Num_heavy_atoms: | 39 |
| TPSA: | 199.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD47027
Formula: C20H19O5N
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCC(=O)c3cc[nH]c3)c(C)cc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 353.37 | Num_heavy_atoms: | 26 |
| TPSA: | 99.62 | NumAromaticRings: | 3 |
