Glycoside
GD158164
Name:
NoneFormula:
C34H38O13N5Smiles:
CNCCOc1c(OC2OC(C(=O)O)C(O)(CC3=NC=NC3)C(O)C2O)cc2c(c1O)C(O)=CC(c1ccc(OCC(O)C3=NC(N)=C[CH+]3)cc1)O2Aglycone:
CC1=NC=NC1.CNCCOc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCC(O)C3=NC(N)=C[CH+]3)cc1)O2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.38 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 14 |
| MolWt: | 724.7 | Num_heavy_atoms: | 52 |
| TPSA: | 279.96 | 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 |
AD62456
Formula: C24H26O7N3
Smiles:
CNCCOc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCC(O)C3=NC(N)=C[CH+]3)cc1)O2| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 468.49 | Num_heavy_atoms: | 34 |
| TPSA: | 159.02 | NumAromaticRings: | 2 |
