Glycoside
GD141012
Name:
4-(3,5-dihydroxyphenyl)-5,11,19-tris(4-hydroxyphenyl)-8,16-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-6-oxapentacyclo[10.7.0.0²,¹â°.0³,â·.0¹³,¹â¸]nonadeca-2(10),3(7),8,13,15,17-hexaene-9,15,17-triolFormula:
C54H52O21Smiles:
OCC1OC(Oc2c(O)cc3c(c2O)C(c2ccc(O)cc2)C2c4c5c(c(OC6OC(CO)C(O)C(O)C6O)c(O)c4C(c4ccc(O)cc4)C32)OC(c2ccc(O)cc2)C5c2cc(O)cc(O)c2)C(O)C(O)C1OAglycone:
Oc1ccc(C2Oc3c(O)c(O)c4c(c3C2c2cc(O)cc(O)c2)C2C(c3ccc(O)cc3)c3c(cc(O)c(O)c3O)C2C4c2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 11 |
| HBD: | 16 | FractionCSP3: | 0.33 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 1036.99 | Num_heavy_atoms: | 75 |
| TPSA: | 369.83 | NumAromaticRings: | 6 |
Unique Aglycone
AD56840
Formula: C42H32O11
Smiles:
Oc1ccc(C2Oc3c(O)c(O)c4c(c3C2c2cc(O)cc(O)c2)C2C(c3ccc(O)cc3)c3c(cc(O)c(O)c3O)C2C4c2ccc(O)cc2)cc1| HBA: | 11 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.14 |
| AlogP: | 7.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 712.71 | Num_heavy_atoms: | 53 |
| TPSA: | 211.53 | NumAromaticRings: | 6 |
