Glycoside
GD110723
Name:
NoneFormula:
C32H33O7N5Smiles:
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 599.64 | Num_heavy_atoms: | 44 |
| TPSA: | 155.97 | NumAromaticRings: | 5 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD07921
Formula: C22H22O3
Smiles:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.42 | Num_heavy_atoms: | 25 |
| TPSA: | 27.69 | NumAromaticRings: | 3 |
