Glycoside
GD150179
Name:
NoneFormula:
C27H32O15Smiles:
CC1OC(OC2=C(c3ccc(O)c(O)c3)[OH+][C]3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C(O)C(O)C1OAglycone:
OC1=CC2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 252.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD44986
Formula: C15H13O6
Smiles:
OC1=CC2[OH+]C(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.95 | NumAromaticRings: | 1 |
