Glycoside
GD116738
Name:
NoneFormula:
C35H37O17Smiles:
CC1OC(OCC2OC(OC3=C(c4cc(O)c(O)c(O)c4)Oc4cc(O)cc5c4C3=CC(c3ccc([OH2+])cc3)O5)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc3c2C1=CC(c1ccc([OH2+])cc1)O3Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.37 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 729.66 | Num_heavy_atoms: | 52 |
| TPSA: | 280.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD46418
Formula: C23H17O8
Smiles:
OC1=C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc3c2C1=CC(c1ccc([OH2+])cc1)O3| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.04 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 421.38 | Num_heavy_atoms: | 31 |
| TPSA: | 142.51 | NumAromaticRings: | 3 |
