Glycoside
GD117257
Name:
NoneFormula:
C33H42O21Smiles:
CC1OC(OCC2OC(OC3=C(c4cc(O)c(O)c(O)c4)[OH+]C4=CC(OC5OC(CO)C(O)C(O)C5O)=C[C](O)C4=C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=CC(O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)[OH+]C2=C1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.55 |
| AlogP: | -4.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 774.68 | Num_heavy_atoms: | 54 |
| TPSA: | 351.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD44981
Formula: C15H13O7
Smiles:
OC1=CC(O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)[OH+]C2=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 134.18 | NumAromaticRings: | 1 |
