Glycoside
GD135132
Name:
1-[(2-cyclohexyl-2-hydroxyethyl)amino]-9-hydroxy-7-methyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,10-dihydro-2-azatetraphene-5,10-dioneFormula:
C32H36O10N2Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(OC3OC(CO)C(O)C(O)C3O)cc3c(NCC(O)C4CCCCC4)nccc13)C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc3c(NCC(O)C4CCCCC4)nccc13)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.64 | Num_heavy_atoms: | 44 |
| TPSA: | 198.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD54654
Formula: C26H26O5N2
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc3c(NCC(O)C4CCCCC4)nccc13)C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.5 | Num_heavy_atoms: | 33 |
| TPSA: | 119.75 | NumAromaticRings: | 3 |
