Glycoside
GD110190
Name:
NoneFormula:
C31H25O8N5Smiles:
O=C(Nc1nc2c(ncn2[C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2O)c(=O)[nH]1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(Nc1nc2c(c(=O)[nH]1)N=C[N]2)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 595.57 | Num_heavy_atoms: | 44 |
| TPSA: | 174.73 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD13498
Formula: C12H8O2N5
Smiles:
O=C(Nc1nc2c(c(=O)[nH]1)N=C[N]2)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.23 | Num_heavy_atoms: | 19 |
| TPSA: | 101.31 | NumAromaticRings: | 2 |
