Glycoside
GD148118
Name:
5''-O-Beta-D-GlucopyranosylamaroswerinFormula:
C35H40O19Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2-c2cccc(O)c2)OC=C2C(=O)OCCC21OAglycone:
C=CC1C(O)OC=C2C(=O)OCCC21O.O=C(O)c1c(O)cc(O)cc1-c1cccc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.49 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 764.69 | Num_heavy_atoms: | 54 |
| TPSA: | 301.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD13512
Formula: C10H12O5
Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD44490
Formula: C13H10O5
Smiles:
O=C(O)c1c(O)cc(O)cc1-c1cccc(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
