Glycoside
GD037057
Name:
NoneFormula:
C22H28O7N5PSmiles:
O=P(O)(O)COC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(-c4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(-c3ccccc3)nc2NC2CCCC2)[N]1.COCP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 505.47 | Num_heavy_atoms: | 35 |
| TPSA: | 172.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD01581
Formula: C2H7O4P
Smiles:
COCP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23369
Formula: C16H16N5
Smiles:
C1=Nc2c(nc(-c3ccccc3)nc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.34 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
