Glycoside
GD121480
Name:
4-ethenyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,4a,5,5a,6,11,12,13,15-decahydro-2-oxa-6,14-diazapentaphene-11,15-dioneFormula:
C27H30O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3CCc4c([nH]c5ccccc5c4=O)C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccccc5c4=O)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 526.54 | Num_heavy_atoms: | 38 |
| TPSA: | 161.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD48905
Formula: C21H20O4N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccccc5c4=O)C3CC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.4 | Num_heavy_atoms: | 27 |
| TPSA: | 82.63 | NumAromaticRings: | 2 |
