Glycoside
GD120605
Name:
NoneFormula:
C34H43O22Smiles:
CC(=O)OCC1OC(OC2=CC(O)=CC3OC(c4cc(O)c(O)c(O)c4)=C(OC4OC(C[OH2+])C(O)C(O)C4OC4OCC(O)C(O)C4O)C=C23)C(O)C(O)C1OAglycone:
COC(C)=O.OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1COC(OC2C(O)OC(C[OH2+])C(O)C2O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | -4.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 803.7 | Num_heavy_atoms: | 56 |
| TPSA: | 356.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD45076
Formula: C15H12O7
Smiles:
OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 1 |
