Glycoside
GD138859
Name:
NoneFormula:
C29H36O17Smiles:
CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3O)OC(CO)C2OC(=O)C=Cc2ccc(O)c(O)c2O)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1O.OCCc1ccc(O)c(O)c1OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 656.59 | Num_heavy_atoms: | 46 |
| TPSA: | 285.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD56024
Formula: C9H8O5
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 196.16 | Num_heavy_atoms: | 14 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD56025
Formula: C8H10O4
Smiles:
OCCc1ccc(O)c(O)c1O| 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 |
