Glycoside
GD134957
Name:
9-hydroxy-7-methyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,10-dihydro-2-azatetraphene-5,10-dioneFormula:
C24H21O9NSmiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(OC3OC(CO)C(O)C(O)C3O)cc3cnccc13)C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc3cnccc13)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 467.43 | Num_heavy_atoms: | 34 |
| TPSA: | 166.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD54595
Formula: C18H11O4N
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc3cnccc13)C2=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 305.29 | Num_heavy_atoms: | 23 |
| TPSA: | 87.49 | NumAromaticRings: | 3 |
