Glycoside
GD110922
Name:
NoneFormula:
C25H29O10N5PClSmiles:
CC(=O)CCC(=O)O[C@H]1C[C@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)O[C@H]1O[PH](O)(O)Oc1ccc(Cl)cc1Aglycone:
CC(=O)CCC(=O)O.CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2.O[PH](O)(O)Oc1ccc(Cl)cc1Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 613.95 | Num_heavy_atoms: | 41 |
| TPSA: | 204.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD03365
Formula: C5H8O3
Smiles:
CC(=O)CCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
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 |
AD44678
Formula: C7H8O4PCl
Smiles:
O[PH](O)(O)Oc1ccc(Cl)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.55 | Num_heavy_atoms: | 12 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
