Glycoside
GD019758
Name:
NoneFormula:
C33H36O11N6Smiles:
COc1cccc([C@@H]2N[C@@](C)(C(=O)NCC(=O)NC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c1OCAglycone:
CNC(=O)CNC(=O)C1(C)NC(c2cccc(OC)c2OC)C2C(=O)N(c3ccccc3)C(=O)C21.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 692.68 | Num_heavy_atoms: | 50 |
| TPSA: | 230.62 | NumAromaticRings: | 3 |
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 |
AD13747
Formula: C25H28O6N4
Smiles:
CNC(=O)CNC(=O)C1(C)NC(c2cccc(OC)c2OC)C2C(=O)N(c3ccccc3)C(=O)C21| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.52 | Num_heavy_atoms: | 35 |
| TPSA: | 126.07 | NumAromaticRings: | 2 |
