Glycoside
GD141676
Name:
3,3',4,4',5,5',7-Heptahydroxyflavan; 3-O-[β-D-Galactopyranosyl-(1->4)-β-D-Glucopyranoside]Formula:
C27H34O18Smiles:
OCC1OC(OC2C(CO)OC(OC3c4c(O)cc(O)cc4OC(c4cc(O)c(O)c(O)c4)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.56 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 646.55 | Num_heavy_atoms: | 45 |
| TPSA: | 309.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD49417
Formula: C15H14O8
Smiles:
Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2O| HBA: | 8 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.2 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.27 | Num_heavy_atoms: | 23 |
| TPSA: | 150.84 | NumAromaticRings: | 2 |
