Glycoside
GD125108
Name:
NoneFormula:
C21H22O9Smiles:
CC1OC(OC2=Cc3c(O)cc(O)cc3[OH+]C2=C2C=C[C](O)C=C2)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 152.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD45378
Formula: C15H13O5
Smiles:
OC1=Cc2c(O)cc(O)cc2[OH+]C1=C1C=CC(O)C=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 273.26 | Num_heavy_atoms: | 20 |
| TPSA: | 93.72 | NumAromaticRings: | 1 |
