Glycoside
GD009659
Name:
NoneFormula:
C27H31O14N5P2Smiles:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n3cnc4c(N)nc(-c5ccco5)nc43)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC)C(=O)OC2.Nc1nc(-c2ccco2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 711.51 | Num_heavy_atoms: | 48 |
| TPSA: | 281.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD00057
Formula: C14H20O10P2
Smiles:
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC)C(=O)OC2| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 410.25 | Num_heavy_atoms: | 26 |
| TPSA: | 148.82 | NumAromaticRings: | 1 |
AD07556
Formula: C9H6ON5
Smiles:
Nc1nc(-c2ccco2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.18 | Num_heavy_atoms: | 15 |
| TPSA: | 91.4 | NumAromaticRings: | 2 |
