Glycoside
GD117396
Name:
NoneFormula:
C35H36O17Smiles:
CC1OC(OCC2OC(Oc3c4cc(=C5C=C[C](O)C=C5)oc5cc(O)cc([oH+]c3-c3cc(O)c(O)c(O)c3)c5-4)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc2oc(=C3C=CC(O)C=C3)cc3c(O)c(-c4cc(O)c(O)c(O)c4)[oH+]c(c1)c2-3Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.34 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 728.66 | Num_heavy_atoms: | 52 |
| TPSA: | 285.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD46799
Formula: C23H17O8
Smiles:
Oc1cc2oc(=C3C=CC(O)C=C3)cc3c(O)c(-c4cc(O)c(O)c(O)c4)[oH+]c(c1)c2-3| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.04 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 421.38 | Num_heavy_atoms: | 31 |
| TPSA: | 147.32 | NumAromaticRings: | 2 |
