Glycoside
GD027644
Name:
NoneFormula:
C27H31O9N4PSmiles:
CCOC(=O)[C@H](C)NP(=O)(OC[C@@]1(C)O[C@H](n2ccc3c(-c4ccco4)ncnc32)[C@H](O)[C@H]1O)Oc1ccccc1Aglycone:
C1=Cc2c(ncnc2-c2ccco2)[N]1.CCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1Sugarmoiety:
CC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 586.54 | Num_heavy_atoms: | 41 |
| TPSA: | 167.4 | NumAromaticRings: | 4 |
Unique Aglycone
AD00514
Formula: C12H18O5NP
Smiles:
CCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 287.25 | Num_heavy_atoms: | 19 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
AD02210
Formula: C10H6ON3
Smiles:
C1=Cc2c(ncnc2-c2ccco2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.18 | Num_heavy_atoms: | 14 |
| TPSA: | 53.02 | NumAromaticRings: | 2 |
