Glycoside
GD028513
Name:
NoneFormula:
C26H36O11N6Smiles:
CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)[C@H](C)[C@H](O)c1ccc(O)cn1Aglycone:
CC(C)CC(N)C(=O)NC(C(=O)NCC(=O)O)C(C)C(O)c1ccc(O)cn1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.54 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 12 |
| MolWt: | 608.61 | Num_heavy_atoms: | 43 |
| TPSA: | 279.42 | NumAromaticRings: | 2 |
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 |
AD11625
Formula: C18H28O6N4
Smiles:
CC(C)CC(N)C(=O)NC(C(=O)NCC(=O)O)C(C)C(O)c1ccc(O)cn1| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 396.44 | Num_heavy_atoms: | 28 |
| TPSA: | 174.87 | NumAromaticRings: | 1 |
