Glycoside
GD133344
Name:
4-(2-{8-methyl-2-[2-(methylamino)ethyl]-6-oxo-3-[(2,3,4,5,6-pentahydroxyhexyl)peroxy]-2H,3H,4H,6H-pyrano[3,2-g]chromen-2-yl}ethyl)pyrrolidin-2-oneFormula:
C28H40O11N2Smiles:
CNCCC1(CCC2CN=C(O)C2)Oc2cc3oc(C)cc(=O)c3cc2CC1OOCC(O)C(O)C(O)C(O)COAglycone:
CNCCC1(CCC2CN=C(O)C2)Oc2cc3oc(C)cc(=O)c3cc2CC1OSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 14 |
| MolWt: | 580.63 | Num_heavy_atoms: | 41 |
| TPSA: | 203.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD53973
Formula: C22H28O5N2
Smiles:
CNCCC1(CCC2CN=C(O)C2)Oc2cc3oc(C)cc(=O)c3cc2CC1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.48 | Num_heavy_atoms: | 29 |
| TPSA: | 104.29 | NumAromaticRings: | 2 |
