Glycoside
GD036285
Name:
NoneFormula:
C25H34O9N3PSmiles:
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)(OC[C@@H]1O[C@H](n3ccnc(C(N)=O)c3=O)[C@H](O)[C@H]1O)OC2Aglycone:
COP1(=O)OCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1.NC(=O)c1ncc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 551.53 | Num_heavy_atoms: | 38 |
| TPSA: | 172.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD00903
Formula: C5H5O2N3
Smiles:
NC(=O)c1ncc[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.11 | Num_heavy_atoms: | 10 |
| TPSA: | 88.84 | NumAromaticRings: | 1 |
AD22901
Formula: C16H25O4P
Smiles:
COP1(=O)OCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 312.35 | Num_heavy_atoms: | 21 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
