Glycoside
GD036735
Name:
NoneFormula:
C39H50O11N6Smiles:
NC[C@@H]1O[C@H](O[C@H]([C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)n2cc(CCCCCCCCCCOc3ccc(C(=O)c4ccccc4)cc3)nn2)[C@H](O)[C@H]1OAglycone:
O=C(c1ccccc1)c1ccc(OCCCCCCCCCCc2cn(CO)nn2)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.51 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 20 |
| MolWt: | 778.86 | Num_heavy_atoms: | 56 |
| TPSA: | 246.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD23174
Formula: C26H33O3N3
Smiles:
O=C(c1ccccc1)c1ccc(OCCCCCCCCCCc2cn(CO)nn2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 15 |
| MolWt: | 435.57 | Num_heavy_atoms: | 32 |
| TPSA: | 77.24 | NumAromaticRings: | 3 |
