Glycoside
GD133423
Name:
NoneFormula:
C27H32O15Smiles:
CC1OC(OCC2OC(OC3=Cc4c(cc(O)c(O)c4O)[OH+]C3=C3C=C[C](O)C=C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(cc(O)c(O)c2O)[OH+]C1=C1C=CC(O)C=C1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 252.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD54005
Formula: C15H13O6
Smiles:
OC1=Cc2c(cc(O)c(O)c2O)[OH+]C1=C1C=CC(O)C=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.95 | NumAromaticRings: | 1 |
