Glycoside
GD120124
Name:
NoneFormula:
C36H39O13N4Smiles:
NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)(CC6=NC=NC6)C(O)C5O)c(OC5CCCC5)c4O)O3)cc2)=N1Aglycone:
CC1=NC=NC1.NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(O)c(OC5CCCC5)c4O)O3)cc2)=N1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 12 |
| MolWt: | 735.72 | Num_heavy_atoms: | 53 |
| TPSA: | 267.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD44952
Formula: C4H6N2
Smiles:
CC1=NC=NC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 82.11 | Num_heavy_atoms: | 6 |
| TPSA: | 24.72 | NumAromaticRings: | 0 |
AD48221
Formula: C26H27O7N2
Smiles:
NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(O)c(OC5CCCC5)c4O)O3)cc2)=N1| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 479.51 | Num_heavy_atoms: | 35 |
| TPSA: | 146.99 | NumAromaticRings: | 2 |
