Glycoside
GD009224
Name:
NoneFormula:
C23H30O8N5PSmiles:
O=P(O)(O)COC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(COc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(COc3ccccc3)nc2NC2CCCC2)[N]1.COCP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 535.49 | Num_heavy_atoms: | 37 |
| TPSA: | 181.31 | 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 |
AD07253
Formula: C17H18ON5
Smiles:
C1=Nc2c(nc(COc3ccccc3)nc2NC2CCCC2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 308.37 | Num_heavy_atoms: | 23 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
