Glycoside
GD140677
Name:
[3,4,5-trihydroxy-6-({7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.0âµ,¹³]trideca-1(12),5(13),6,8,10-pentaen-8-yl}oxy)oxan-2-yl]methyl N-carbamoylcarbamateFormula:
C27H26O11N2Smiles:
COc1cc2c3c(ccc(-c4ccccc4)c3c1OC1OC(COC(O)=NC(=N)O)C(O)C(O)C1O)C(=O)OC2Aglycone:
COC(O)=NC(=N)O.COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)OC2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 554.51 | Num_heavy_atoms: | 40 |
| TPSA: | 200.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD17275
Formula: C19H14O4
Smiles:
COc1cc2c3c(ccc(-c4ccccc4)c3c1O)C(=O)OC2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.32 | Num_heavy_atoms: | 23 |
| TPSA: | 55.76 | NumAromaticRings: | 3 |
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 |
