Glycoside
GD030850
Name:
NoneFormula:
C17H22O11N2P2Smiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Cc1ccccc1Aglycone:
COP(=O)(O)CP(=O)(O)O.O=c1cc[nH]c(=O)n1Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.31 | Num_heavy_atoms: | 32 |
| TPSA: | 197.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD03251
Formula: C11H10O2N2
Smiles:
O=c1cc[nH]c(=O)n1Cc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.21 | Num_heavy_atoms: | 15 |
| TPSA: | 54.86 | NumAromaticRings: | 2 |
