Glycoside
GD006351
Name:
NoneFormula:
C35H60O17N7P3SBrSmiles:
CCCCCCCCCCCCC(Br)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)OAglycone:
CCCCCCCCCCCCC(Br)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.77 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 31 |
| MolWt: | 1055.79 | Num_heavy_atoms: | 64 |
| TPSA: | 366.46 | 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 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD05270
Formula: C26H50O11N2P2SBr
Smiles:
CCCCCCCCCCCCC(Br)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)(O)OC| HBA: | 13 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 26 |
| MolWt: | 740.61 | Num_heavy_atoms: | 43 |
| TPSA: | 200.62 | NumAromaticRings: | 0 |
