Glycoside
GD136831
Name:
NoneFormula:
C27H33O16Smiles:
CC1OC(OC2C(OC3=C(c4cc(O)c(O)c(O)c4)OC4C=C(O)C=C(O)C4=C3)OC(C[OH2+])C(O)C2O)C(O)C(O)C1OAglycone:
OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
CC1OC(OC2C(O)OC(C[OH2+])C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 613.55 | Num_heavy_atoms: | 43 |
| TPSA: | 271.35 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
