Glycoside
GD035322
Name:
NoneFormula:
C46H48O10N10SSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NCCNC(=S)Nc5ccc(C6c7ccc(O)cc7OC7=CC(=O)C=CC76)c(C(=O)O)c5)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCc2ccc(CCC(=O)NCCNC(=S)Nc3ccc(C4c5ccc(O)cc5OC5=CC(=O)C=CC54)c(C(=O)O)c3)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.3 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 16 |
| MolWt: | 933.02 | Num_heavy_atoms: | 67 |
| TPSA: | 297.43 | NumAromaticRings: | 5 |
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 |
AD22363
Formula: C39H36O6N9S
Smiles:
Nc1nc(NCCc2ccc(CCC(=O)NCCNC(=S)Nc3ccc(C4c5ccc(O)cc5OC5=CC(=O)C=CC54)c(C(=O)O)c3)cc2)nc2c1N=C[N]2| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 13 |
| MolWt: | 758.84 | Num_heavy_atoms: | 55 |
| TPSA: | 227.28 | NumAromaticRings: | 4 |
