Glycoside
GD114442
Name:
NoneFormula:
C29H36O16Smiles:
CC1OC(OC2C(O)C(OCCc3cc(O)c(O)cc3O)OC(CO)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1cc(O)c(O)cc1OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 640.59 | Num_heavy_atoms: | 45 |
| TPSA: | 265.52 | 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 |
AD19341
Formula: C8H10O4
Smiles:
OCCc1cc(O)c(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
