Glycoside
GD001544
Name:
NoneFormula:
C34H33O9N4PSmiles:
CCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1O[C@H](n2ccc3c(-c4cccc5c4oc4ccccc45)ncnc32)[C@H](O)[C@H]1O)Oc1ccccc1Aglycone:
C1=Cc2c(ncnc2-c2cccc3c2oc2ccccc23)[N]1.CCOC(=O)C(C)NP(=O)(OC)Oc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 672.63 | Num_heavy_atoms: | 48 |
| TPSA: | 167.4 | NumAromaticRings: | 6 |
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 |
AD01538
Formula: C18H10ON3
Smiles:
C1=Cc2c(ncnc2-c2cccc3c2oc2ccccc23)[N]1| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.3 | Num_heavy_atoms: | 22 |
| TPSA: | 53.02 | NumAromaticRings: | 4 |
