Glycoside
GD015920
Name:
NoneFormula:
C34H47O18N7F3P3SSmiles:
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)cnnc32)[C@H](O)[C@H]1OP(=O)(O)O)[C@H](O)C(=O)NCCC(=O)NCCSC(=O)C1(CCCc2cccc(C(F)(F)F)c2)CO1Aglycone:
COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CCCc2cccc(C(F)(F)F)c2)CO1.Nc1cnnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 24 |
| MolWt: | 1023.76 | Num_heavy_atoms: | 66 |
| TPSA: | 376.16 | NumAromaticRings: | 3 |
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 |
AD02165
Formula: C5H4N5
Smiles:
Nc1cnnc2c1N=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 |
AD11516
Formula: C25H37O12N2F3P2S
Smiles:
COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CCCc2cccc(C(F)(F)F)c2)CO1| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 19 |
| MolWt: | 708.58 | Num_heavy_atoms: | 45 |
| TPSA: | 210.32 | NumAromaticRings: | 1 |
