Glycoside
GD110665
Name:
NoneFormula:
C35H40O7N7Smiles:
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(/[NH+]=C(\N)N(C)C)nc43)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
CN(C)C(N)=[NH+]c1nc2c(c(=O)[nH]1)N=C[N]2.COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 670.75 | Num_heavy_atoms: | 49 |
| TPSA: | 173.18 | NumAromaticRings: | 5 |
Unique Aglycone
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 |
AD44657
Formula: C8H11ON7
Smiles:
CN(C)C(N)=[NH+]c1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 221.22 | Num_heavy_atoms: | 16 |
| TPSA: | 115.44 | NumAromaticRings: | 1 |
