Glycoside
GD117819
Name:
1-{1-hydroxy-6-methoxy-3-methyl-8-[(3,4,5-trihydroxy-6-{[(1H-indol-3-yl)methoxy]methyl}oxan-2-yl)oxy]naphthalen-2-yl}-4-(1H-pyrrol-3-yl)butane-1,4-dioneFormula:
C35H36O10N2Smiles:
COc1cc(OC2OC(COCc3c[nH]c4ccccc34)C(O)C(O)C2O)c2c(O)c(C(=O)CCC(=O)c3cc[nH]c3)c(C)cc2c1Aglycone:
COCc1c[nH]c2ccccc12.COc1cc(O)c2c(O)c(C(=O)CCC(=O)c3cc[nH]c3)c(C)cc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 644.68 | Num_heavy_atoms: | 47 |
| TPSA: | 183.56 | NumAromaticRings: | 5 |
Unique Aglycone
AD44987
Formula: C10H11ON
Smiles:
COCc1c[nH]c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 25.02 | NumAromaticRings: | 2 |
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 |
