Glycoside
GD137504
Name:
Rossicaside EFormula:
C36H46O20Smiles:
CC1OC(OC2C(O)C(OCC=Cc3ccc(O)c(O)c3)OC(CO)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCC=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 798.74 | Num_heavy_atoms: | 56 |
| TPSA: | 324.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD53742
Formula: C9H10O3
Smiles:
OCC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
