Glycoside
GD138188
Name:
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C33H38O23Smiles:
O=C(Oc1cc2oc(-c3ccc(O)cc3)c(OC3OC(CO)C(O)C(O)C3O)c(=O)c2c(O)c1OC1OC(CO)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OAglycone:
O=COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.52 |
| AlogP: | -6.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 802.64 | Num_heavy_atoms: | 56 |
| TPSA: | 385.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD55800
Formula: C16H10O8
Smiles:
O=COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.25 | Num_heavy_atoms: | 24 |
| TPSA: | 137.43 | NumAromaticRings: | 3 |
