Glycoside
GD021693
Name:
NoneFormula:
C28H35O14N5P3BrSmiles:
C[C@@]12CC[C@@H]3c4ccc(OP(=O)(O)OP(=O)(O)OC[C@@H]5O[C@H](n6c(Br)nc7c(N)ncnc76)[C@H](O)[C@H]5OP(=O)(O)O)cc4CC[C@H]3[C@H]1CCC2=OAglycone:
COP(=O)(O)OP(=O)(O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12.Nc1ncnc2c1N=C(Br)[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 838.44 | Num_heavy_atoms: | 51 |
| TPSA: | 285.2 | 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 |
AD00486
Formula: C5H3N5Br
Smiles:
Nc1ncnc2c1N=C(Br)[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 213.02 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD14783
Formula: C19H26O8P2
Smiles:
COP(=O)(O)OP(=O)(O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(=O)CCC12| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.36 | Num_heavy_atoms: | 29 |
| TPSA: | 119.36 | NumAromaticRings: | 1 |
