Glycoside
GD008384
Name:
NoneFormula:
C61H78O13N9P2Smiles:
CN1C(=CC=CC=CC2=[N+](CCCCCCC(=O)NCCCCCCn3cc(CCC#Cc4cccc(CON=c5ccn([C@@H]6O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]6O)c(=O)[nH]5)c4)nn3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21Aglycone:
CN1C(=CC=CC=CC2=[N+](CCCCCCC(=O)NCCCCCCn3cc(CCC#Cc4cccc(CON=c5cc[nH]c(=O)[nH]5)c4)nn3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 7.76 | Num_rotatable_bonds: | 28 |
| MolWt: | 1207.29 | Num_heavy_atoms: | 85 |
| TPSA: | 288.42 | NumAromaticRings: | 5 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD06696
Formula: C56H68O3N9
Smiles:
CN1C(=CC=CC=CC2=[N+](CCCCCCC(=O)NCCCCCCn3cc(CCC#Cc4cccc(CON=c5cc[nH]c(=O)[nH]5)c4)nn3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21| HBA: | 12 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 9.44 | Num_rotatable_bonds: | 22 |
| MolWt: | 915.22 | Num_heavy_atoms: | 68 |
| TPSA: | 136.3 | NumAromaticRings: | 5 |
