Glycoside
GD134738
Name:
NoneFormula:
C34H37O13N3Smiles:
CNC(OC(=O)CC(=O)O)C1OC(Oc2cc(CN3C=C4C=CN=C4C3)c3c(c2)OCC2c4ccc(OC)c(OC)c4OC32)C(O)C(O)C1OAglycone:
CNCOC(=O)CC(=O)O.COc1ccc2c(c1OC)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OCC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 11 |
| MolWt: | 695.68 | Num_heavy_atoms: | 50 |
| TPSA: | 207.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD47863
Formula: C5H9O4N
Smiles:
CNCOC(=O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 147.13 | Num_heavy_atoms: | 10 |
| TPSA: | 75.63 | NumAromaticRings: | 0 |
AD54505
Formula: C24H22O5N2
Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OCC21| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.45 | Num_heavy_atoms: | 31 |
| TPSA: | 72.75 | NumAromaticRings: | 2 |
