Glycoside
GD023066
Name:
NoneFormula:
C20H32O8N7PSmiles:
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N2CCOCC2)N2CCOCC2)[C@H](O)[C@]1(C)OAglycone:
COP(=O)(N1CCOCC1)N1CCOCC1.COc1nc(N)nc2c1N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 529.49 | Num_heavy_atoms: | 36 |
| TPSA: | 179.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD01261
Formula: C6H6ON5
Smiles:
COc1nc(N)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
AD15559
Formula: C9H19O4N2P
Smiles:
COP(=O)(N1CCOCC1)N1CCOCC1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.23 | Num_heavy_atoms: | 16 |
| TPSA: | 51.24 | NumAromaticRings: | 0 |
