Glycoside
GD114176
Name:
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C33H38O23Smiles:
O=C(O)C1OC(Oc2cc3oc(-c4ccc(O)cc4)c(OC4OC(CO)C(O)C(O)C4O)c(=O)c3c(O)c2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
O=C(O)C1OC(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: | -5.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 802.64 | Num_heavy_atoms: | 56 |
| TPSA: | 385.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD09495
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
