Glycoside
GD035249
Name:
NoneFormula:
C27H34O10N10Smiles:
CCn1c(=O)ccn(C2OC(Cn3cc(COC(=O)C(C)NC(=O)C(C)n4cnc5c4c(=O)n(C)c(=O)n5C)nn3)C(O)C2O)c1=OAglycone:
CC(NC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OCc1cn(C)nn1.CCn1c(=O)cc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | -3.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 658.63 | Num_heavy_atoms: | 47 |
| TPSA: | 241.62 | NumAromaticRings: | 4 |
Unique Aglycone
AD05157
Formula: C6H8O2N2
Smiles:
CCn1c(=O)cc[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
AD22315
Formula: C17H22O5N8
Smiles:
CC(NC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OCc1cn(C)nn1| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.41 | Num_heavy_atoms: | 30 |
| TPSA: | 147.93 | NumAromaticRings: | 3 |
