Glycoside
GD144394
Name:
N''-({4-hydroxy-9,10-dioxo-1-[(1-phenylcyclopentyl)methyl]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl}methyl)guanidineFormula:
C34H37O9N3Smiles:
N=C(N)NCc1c(CC2(c3ccccc3)CCCC2)c2c(c(O)c1OC1OC(CO)C(O)C(O)C1O)C(=O)c1ccccc1C2=OAglycone:
N=C(N)NCc1c(O)c(O)c2c(c1CC1(c3ccccc3)CCCC1)C(=O)c1ccccc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 631.68 | Num_heavy_atoms: | 46 |
| TPSA: | 215.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD58031
Formula: C28H27O4N3
Smiles:
N=C(N)NCc1c(O)c(O)c2c(c1CC1(c3ccccc3)CCCC1)C(=O)c1ccccc1C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 469.54 | Num_heavy_atoms: | 35 |
| TPSA: | 136.5 | NumAromaticRings: | 3 |
