Glycoside
GD003251
Name:
NoneFormula:
C29H28O10N3FPISmiles:
C[C@H](NP(=O)(OC[C@@H]1O[C@H](n2c(I)c(F)c(=O)[nH]c2=O)[C@H](O)[C@H]1O)Oc1cccc2ccccc12)C(=O)OCc1ccccc1Aglycone:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12.O=c1[nH]c(I)c(F)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 755.43 | Num_heavy_atoms: | 45 |
| TPSA: | 178.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD01728
Formula: C21H22O5NP
Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 399.38 | Num_heavy_atoms: | 28 |
| TPSA: | 73.86 | NumAromaticRings: | 3 |
AD02962
Formula: C4H2O2N2FI
Smiles:
O=c1[nH]c(I)c(F)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 255.97 | Num_heavy_atoms: | 10 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
