Glycoside
GD016726
Name:
NoneFormula:
C26H40O18N5P3Smiles:
O=P(O)(O)OC1[C@H](O)[C@@H](O[C@H]2[C@H](CO)OC(n3cnc4c(NC56C[C@H]7C[C@@H](C5)C[C@@H](C6)C7)ncnc43)[C@H]2OP(=O)(O)O)OC(CO)[C@H]1OP(=O)(O)OAglycone:
C1=Nc2c(ncnc2NC23CC4CC(CC(C4)C2)C3)[N]1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 13 |
| MolWt: | 803.55 | Num_heavy_atoms: | 52 |
| TPSA: | 344.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD03285
Formula: C15H18N5
Smiles:
C1=Nc2c(ncnc2NC23CC4CC(CC(C4)C2)C3)[N]1| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.34 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
