Glycoside
GD019288
Name:
NoneFormula:
C24H28O14N5PSmiles:
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC(N)C3OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C1=OAglycone:
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC(N)C3OP(=O)(O)OC)C1=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 641.48 | Num_heavy_atoms: | 44 |
| TPSA: | 286.95 | 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 |
AD13487
Formula: C16H20O9N3P
Smiles:
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC(N)C3OP(=O)(O)OC)C1=O| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.32 | Num_heavy_atoms: | 29 |
| TPSA: | 182.4 | NumAromaticRings: | 1 |
