Glycoside
GD144687
Name:
Nigroside 1Formula:
C30H38O14Smiles:
CC1OC(OC2C=C(CO)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)C(O)C(OC(=O)C=Cc2ccccc2)C1OAglycone:
O=C(O)C=Cc1ccccc1.OCC1=CC(O)C2C=COC(O)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.62 | Num_heavy_atoms: | 44 |
| TPSA: | 214.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD06320
Formula: C9H12O4
Smiles:
OCC1=CC(O)C2C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
