Glycoside
GD127822
Name:
13-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0âµ,¹â¶.0¹â°,¹âµ]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-oneFormula:
C21H20O8N2Smiles:
COc1ccc2c3ccnc4cc(OC5OC(CO)C(O)C(O)C5O)c(=O)n(c2c1)c43Aglycone:
COc1ccc2c3ccnc4cc(O)c(=O)n(c2c1)c43Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.4 | Num_heavy_atoms: | 31 |
| TPSA: | 142.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD51770
Formula: C15H10O3N2
Smiles:
COc1ccc2c3ccnc4cc(O)c(=O)n(c2c1)c43| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.26 | Num_heavy_atoms: | 20 |
| TPSA: | 63.83 | NumAromaticRings: | 4 |
