Glycoside
GD022165
Name:
NoneFormula:
C33H39O5N11S2Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NCCNC(=S)Nc5ccc(N=C=S)cc5)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCc2ccc(CCC(=O)NCCNC(=S)Nc3ccc(N=C=S)cc3)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 15 |
| MolWt: | 733.88 | Num_heavy_atoms: | 51 |
| TPSA: | 225.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD15063
Formula: C26H27ON10S2
Smiles:
Nc1nc(NCCc2ccc(CCC(=O)NCCNC(=S)Nc3ccc(N=C=S)cc3)cc2)nc2c1N=C[N]2| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 12 |
| MolWt: | 559.7 | Num_heavy_atoms: | 39 |
| TPSA: | 155.81 | NumAromaticRings: | 3 |
