Glycoside
GD037287
Name:
NoneFormula:
C41H70O9N16SSmiles:
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNCCCSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C(=O)N[C@H](C)C(N)=OAglycone:
CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNCCCSC)C(=O)NC(C)C(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.71 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 28 |
| MolWt: | 963.18 | Num_heavy_atoms: | 67 |
| TPSA: | 399.06 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD23499
Formula: C32H61O6N11S
Smiles:
CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNCCCSC)C(=O)NC(C)C(N)=O| HBA: | 17 | RingCount: | 1 |
| HBD: | 13 | FractionCSP3: | 0.78 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 25 |
| MolWt: | 727.98 | Num_heavy_atoms: | 50 |
| TPSA: | 279.75 | NumAromaticRings: | 0 |
