Glycoside
GD009731
Name:
NoneFormula:
C33H43O21N3P2Smiles:
Cc1ccc2ccc(COC(=O)COCCOCC(=O)NC[C@@H]3O[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]4O[C@H](n5ccc(=O)[nH]c5=O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)cc2c1Aglycone:
CNC(=O)COCCOCC(=O)OCc1ccc2ccc(C)cc2c1.COP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OOC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 19 |
| MolWt: | 879.66 | Num_heavy_atoms: | 59 |
| TPSA: | 350.62 | NumAromaticRings: | 3 |
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 |
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD07604
Formula: C19H23O5N
Smiles:
CNC(=O)COCCOCC(=O)OCc1ccc2ccc(C)cc2c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 345.4 | Num_heavy_atoms: | 25 |
| TPSA: | 73.86 | NumAromaticRings: | 2 |
