Glycoside
GD110163
Name:
NoneFormula:
C33H33O8N5Smiles:
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(C)=O)nc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
CC(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2.COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 627.65 | Num_heavy_atoms: | 46 |
| TPSA: | 170.05 | NumAromaticRings: | 5 |
Unique Aglycone
AD02712
Formula: C7H6O2N5
Smiles:
CC(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.16 | Num_heavy_atoms: | 14 |
| TPSA: | 101.31 | 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 |
