Glycoside
GD130088
Name:
NoneFormula:
C73H77O17NSmiles:
CC1OC(Oc2ccc([NH+]([O-])O)cc2)C2OC(c3ccccc3)OC2C1OC1OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
CC1OC(Oc2ccc([NH+]([O-])O)cc2)C2OC(c3ccccc3)OC2C1O.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)O1Other Identifiers
Properties
| HBA: | 18 | RingCount: | 12 |
| HBD: | 3 | FractionCSP3: | 0.34 |
| AlogP: | 10.05 | Num_rotatable_bonds: | 28 |
| MolWt: | 1240.41 | Num_heavy_atoms: | 91 |
| TPSA: | 197.18 | NumAromaticRings: | 8 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD52703
Formula: C19H21O7N
Smiles:
CC1OC(Oc2ccc([NH+]([O-])O)cc2)C2OC(c3ccccc3)OC2C1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 375.38 | Num_heavy_atoms: | 27 |
| TPSA: | 104.88 | NumAromaticRings: | 2 |
