Glycoside
GD148995
Name:
N''-[(4-hydroxy-9,10-dioxo-3-{[3,4,5-trihydroxy-6-(1-hydroxycyclohexyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl)methyl]guanidineFormula:
C27H31O9N3Smiles:
N=C(N)NCc1cc2c(c(O)c1OC1OC(C3(O)CCCCC3)C(O)C(O)C1O)C(=O)c1ccccc1C2=OAglycone:
N=C(N)NCc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O.OC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 541.56 | Num_heavy_atoms: | 39 |
| TPSA: | 215.65 | NumAromaticRings: | 2 |
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 |
AD52856
Formula: C16H13O4N3
Smiles:
N=C(N)NCc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.06 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 311.3 | Num_heavy_atoms: | 23 |
| TPSA: | 136.5 | NumAromaticRings: | 2 |
