Glycoside
GD113268
Name:
NoneFormula:
C41H34O11N3PSSmiles:
O=C(O[C@H]1[C@H](OC(=O)c2ccccc2)[C@H](COP(=O)(Oc2ccccc2)Oc2ccccc2)O[C@H]1n1nc(SCc2ccccc2)c(=O)[nH]c1=O)c1ccccc1Aglycone:
COP(=O)(Oc1ccccc1)Oc1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=c1[nH]nc(SCc2ccccc2)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 6.86 | Num_rotatable_bonds: | 15 |
| MolWt: | 807.77 | Num_heavy_atoms: | 57 |
| TPSA: | 174.34 | NumAromaticRings: | 6 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD30348
Formula: C10H9O2N3S
Smiles:
O=c1[nH]nc(SCc2ccccc2)c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 235.27 | Num_heavy_atoms: | 16 |
| TPSA: | 78.61 | NumAromaticRings: | 2 |
AD44668
Formula: C13H13O4P
Smiles:
COP(=O)(Oc1ccccc1)Oc1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 264.22 | Num_heavy_atoms: | 18 |
| TPSA: | 44.76 | NumAromaticRings: | 2 |
