Glycoside
GD093551
Name:
NoneFormula:
C13H21O12N4PSmiles:
Nc1c(C(=O)N[C@@H](CC(=O)O)C(=O)O)ncn1[C@@H]1O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]1OAglycone:
CO[PH](O)(O)O.NC1=C(C(=O)NC(CC(=O)O)C(=O)O)N=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.54 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 456.3 | Num_heavy_atoms: | 30 |
| TPSA: | 267.15 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD24556
Formula: C8H9O5N4
Smiles:
NC1=C(C(=O)NC(CC(=O)O)C(=O)O)N=C[N]1| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 241.18 | Num_heavy_atoms: | 17 |
| TPSA: | 156.18 | NumAromaticRings: | 0 |
