Glycoside
GD112175
Name:
NoneFormula:
C35H39O7N6Smiles:
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(/[NH+]=C/N(C)C)nc43)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
CN(C)C=[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: | 13 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 12 |
| MolWt: | 655.73 | Num_heavy_atoms: | 48 |
| TPSA: | 147.16 | 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 |
AD32079
Formula: C8H10ON6
Smiles:
CN(C)C=[NH+]c1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.21 | Num_heavy_atoms: | 15 |
| TPSA: | 89.42 | NumAromaticRings: | 1 |
