Glycoside
GD120380
Name:
N''-(3-hydroxy-3-{3,4,5-trihydroxy-6-[(1-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]oxan-2-yl}propyl)guanidineFormula:
C23H25O9N3Smiles:
N=C(N)NCCC(O)C1OC(Oc2ccc3c(c2O)C(=O)c2ccccc2C3=O)C(O)C(O)C1OAglycone:
N=C(N)NCCCO.O=C1c2ccccc2C(=O)c2c1ccc(O)c2OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 487.47 | Num_heavy_atoms: | 35 |
| TPSA: | 215.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD11663
Formula: C14H8O4
Smiles:
O=C1c2ccccc2C(=O)c2c1ccc(O)c2O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 240.21 | Num_heavy_atoms: | 18 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
AD48358
Formula: C4H11ON3
Smiles:
N=C(N)NCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 82.13 | NumAromaticRings: | 0 |
