Glycoside
GD143996
Name:
Iglu#2Formula:
C14H18O8NPSmiles:
O=P(O)(O)OC1C(O)C(CO)OC(n2ccc3ccccc32)C1OAglycone:
O=P(O)(O)O.c1ccc2[nH]ccc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 359.27 | Num_heavy_atoms: | 24 |
| TPSA: | 141.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD05165
Formula: C8H7N
Smiles:
c1ccc2[nH]ccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 117.15 | Num_heavy_atoms: | 9 |
| TPSA: | 15.79 | NumAromaticRings: | 2 |
