Glycoside
GD003829
Name:
NoneFormula:
C37H32O17N4P2Smiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H](c3cccc(NC(=O)c4ccc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c4)c3)P(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OC(c1cccc(NC(=O)c2ccc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c2)c1)P(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.16 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 12 |
| MolWt: | 866.62 | Num_heavy_atoms: | 60 |
| TPSA: | 340.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03420
Formula: C29H23O13NP2
Smiles:
COP(=O)(O)OC(c1cccc(NC(=O)c2ccc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c2)c1)P(=O)(O)O| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 655.45 | Num_heavy_atoms: | 45 |
| TPSA: | 230.13 | NumAromaticRings: | 3 |
