Glycoside
GD027228
Name:
NoneFormula:
C39H40O6N8Smiles:
O=C(NC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(Oc5ccccc5)cc4)ncnc32)[C@H](O)[C@H]1O)c1ccc2c(c1)[nH]c(=O)n2CCC1=CCCCC1Aglycone:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1.CNC(=O)c1ccc2c(c1)[nH]c(=O)n2CCC1=CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 716.8 | Num_heavy_atoms: | 53 |
| TPSA: | 181.44 | NumAromaticRings: | 6 |
Unique Aglycone
AD00191
Formula: C18H14ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.34 | Num_heavy_atoms: | 24 |
| TPSA: | 73.5 | NumAromaticRings: | 3 |
AD17916
Formula: C17H21O2N3
Smiles:
CNC(=O)c1ccc2c(c1)[nH]c(=O)n2CCC1=CCCCC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 299.37 | Num_heavy_atoms: | 22 |
| TPSA: | 66.89 | NumAromaticRings: | 2 |
