Glycoside
GD142950
Name:
N''-{[4-hydroxy-9,10-dioxo-1-(2-phenylethyl)-3-{[3,4,5-trihydroxy-6-(1-hydroxycyclohexyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl]methyl}guanidineFormula:
C35H39O9N3Smiles:
N=C(N)NCc1c(CCc2ccccc2)c2c(c(O)c1OC1OC(C3(O)CCCCC3)C(O)C(O)C1O)C(=O)c1ccccc1C2=OAglycone:
N=C(N)NCc1c(O)c(O)c2c(c1CCc1ccccc1)C(=O)c1ccccc1C2=O.OC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 645.71 | Num_heavy_atoms: | 47 |
| TPSA: | 215.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD06056
Formula: C6H12O
Smiles:
OC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.16 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD57514
Formula: C24H21O4N3
Smiles:
N=C(N)NCc1c(O)c(O)c2c(c1CCc1ccccc1)C(=O)c1ccccc1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.45 | Num_heavy_atoms: | 31 |
| TPSA: | 136.5 | NumAromaticRings: | 3 |
