Glycoside
GD016239
Name:
NoneFormula:
C31H37O17N4PSmiles:
O=C(OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1OP(=O)(OC[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)O1)OC[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)O1Aglycone:
O=C(O)c1ccccc1OP(=O)(OCC1CCC(n2ccc(=O)[nH]c2=O)O1)OCC1CCC(n2ccc(=O)[nH]c2=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 13 |
| MolWt: | 768.62 | Num_heavy_atoms: | 53 |
| TPSA: | 289.39 | NumAromaticRings: | 3 |
Unique Aglycone
AD11719
Formula: C25H27O12N4P
Smiles:
O=C(O)c1ccccc1OP(=O)(OCC1CCC(n2ccc(=O)[nH]c2=O)O1)OCC1CCC(n2ccc(=O)[nH]c2=O)O1| HBA: | 16 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 606.48 | Num_heavy_atoms: | 42 |
| TPSA: | 210.24 | NumAromaticRings: | 3 |
