Glycoside
GD026372
Name:
NoneFormula:
C46H53O17N9Smiles:
COc1ccc2c(c1)Oc1cc(O)ccc1C2=C1C=CC(=Nc2nc(O)nc(NCCCC[C@H](NC(=O)[C@H](C)OC3C(O)C(CO)OC(O)C3NC(C)=O)C(=O)N[C@H](CCC(=O)O)C(N)=O)n2)C=C1C(=O)OAglycone:
COc1ccc2c(c1)Oc1cc(O)ccc1C2=C1C=CC(=Nc2nc(O)nc(NCCCCC(NC(=O)C(C)O)C(=O)NC(CCC(=O)O)C(N)=O)n2)C=C1C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.39 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 21 |
| MolWt: | 1003.98 | Num_heavy_atoms: | 72 |
| TPSA: | 406.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD17392
Formula: C38H40O12N8
Smiles:
COc1ccc2c(c1)Oc1cc(O)ccc1C2=C1C=CC(=Nc2nc(O)nc(NCCCCC(NC(=O)C(C)O)C(=O)NC(CCC(=O)O)C(N)=O)n2)C=C1C(=O)O| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.29 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 17 |
| MolWt: | 800.78 | Num_heavy_atoms: | 58 |
| TPSA: | 318.1 | NumAromaticRings: | 3 |
