Glycoside
GD147518
Name:
{6-[(2,5-dihydroxy-1-oxo-7-phenyl-1H-phenalen-6-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl N-carbamoylcarbamateFormula:
C27H24O11N2Smiles:
N=C(O)N=C(O)OCC1OC(Oc2c(O)cc3c4c(ccc(-c5ccccc5)c24)C(=O)C(O)=C3)C(O)C(O)C1OAglycone:
COC(O)=NC(=N)O.O=C1C(O)=Cc2cc(O)c(O)c3c(-c4ccccc4)ccc1c23Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.22 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.49 | Num_heavy_atoms: | 40 |
| TPSA: | 222.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD46131
Formula: C3H6O3N2
Smiles:
COC(O)=NC(=N)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 85.9 | NumAromaticRings: | 0 |
AD47823
Formula: C19H12O4
Smiles:
O=C1C(O)=Cc2cc(O)c(O)c3c(-c4ccccc4)ccc1c23| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.3 | Num_heavy_atoms: | 23 |
| TPSA: | 77.76 | NumAromaticRings: | 3 |
