Glycoside
GD034142
Name:
NoneFormula:
C21H33O8N6PSmiles:
O=P(O)(O)COC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(COC4CCNC4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(COC3CCNC3)nc2NC2CCCC2)[N]1.COCP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 528.5 | Num_heavy_atoms: | 36 |
| TPSA: | 193.34 | NumAromaticRings: | 2 |
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 |
AD21736
Formula: C15H21ON6
Smiles:
C1=Nc2c(nc(COC3CCNC3)nc2NC2CCCC2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 301.37 | Num_heavy_atoms: | 22 |
| TPSA: | 85.53 | NumAromaticRings: | 1 |
