Glycoside
GD110010
Name:
NoneFormula:
C35H37O8N5Smiles:
COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@@H](O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2.COc1ccc(C(CO)(c2ccccc2)c2ccc(OC)cc2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 655.71 | Num_heavy_atoms: | 48 |
| TPSA: | 181.05 | NumAromaticRings: | 5 |
Unique Aglycone
AD03777
Formula: C9H10O2N5
Smiles:
CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.21 | Num_heavy_atoms: | 16 |
| TPSA: | 101.31 | NumAromaticRings: | 1 |
AD44607
Formula: C22H22O3
Smiles:
COc1ccc(C(CO)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.42 | Num_heavy_atoms: | 25 |
| TPSA: | 38.69 | NumAromaticRings: | 3 |
