Glycoside
GD028303
Name:
NoneFormula:
C20H32O13N3PSmiles:
CC(=O)N[C@@H]1[C@H](CCOP(=O)(O)CC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCP(=O)(O)OCCC1OC(CO)C(O)C(O)C1NC(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | -3.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 553.46 | Num_heavy_atoms: | 37 |
| TPSA: | 250.1 | NumAromaticRings: | 1 |
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 |
AD18513
Formula: C12H24O8NP
Smiles:
CCP(=O)(O)OCCC1OC(CO)C(O)C(O)C1NC(C)=O| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 341.3 | Num_heavy_atoms: | 22 |
| TPSA: | 145.55 | NumAromaticRings: | 0 |
