Glycoside
GD027606
Name:
NoneFormula:
C38H66O18N7P3SSmiles:
CCCCCCCCCCCCCCC1(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)cnnc43)[C@H](O)[C@H]2OP(=O)(O)O)CO1Aglycone:
CCCCCCCCCCCCCCC1(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC)CO1.Nc1cnnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.79 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 33 |
| MolWt: | 1033.97 | Num_heavy_atoms: | 67 |
| TPSA: | 376.16 | 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 |
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 |
AD09824
Formula: C29H56O12N2P2S
Smiles:
CCCCCCCCCCCCCCC1(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC)CO1| HBA: | 14 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 28 |
| MolWt: | 718.78 | Num_heavy_atoms: | 46 |
| TPSA: | 210.32 | NumAromaticRings: | 0 |
