Glycoside
GD096057
Name:
NoneFormula:
C17H29O8N5PSmiles:
CC(C)[N@H+]1CC[C@H](O[C@@H]2[C@H](O)[C@@H](CO[PH](O)(O)O)O[C@H]2n2cnc3c(=O)[nH]cnc32)C1Aglycone:
CC(C)[NH+]1CCC(O)C1.CO[PH](O)(O)O.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.42 | Num_heavy_atoms: | 31 |
| TPSA: | 176.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD40855
Formula: C7H16ON
Smiles:
CC(C)[NH+]1CCC(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 130.21 | Num_heavy_atoms: | 9 |
| TPSA: | 24.67 | NumAromaticRings: | 0 |
