Glycoside
GD116984
Name:
Glochidacuminoside DFormula:
C21H21O11NSmiles:
N#CC(OC1OC(CO)C(O)C(O)C1OC(=O)c1cc(O)c(O)c(O)c1)c1ccc(O)cc1Aglycone:
N#CC(O)c1ccc(O)cc1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.4 | Num_heavy_atoms: | 33 |
| TPSA: | 210.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD10967
Formula: C8H7O2N
Smiles:
N#CC(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.25 | NumAromaticRings: | 1 |
