Glycoside
GD149925
Name:
2-{[15,23-dihydroxy-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,âµ.1¹â°,¹³.0²¹,²âµ.0â¹,²â·.0¹â·,²â¶]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaen-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C48H40O14Smiles:
OCC1OC(Oc2cc3c4c(c2)C2c5c(cc(O)cc5C5c6c(cc(O)cc6C4C(c4ccc(O)cc4)O3)OC5c3ccc(O)cc3)OC2c2ccc(O)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc3c2C(c2cc(O)cc5c2C4C(c2ccc(O)cc2)O5)C(c2ccc(O)cc2)O3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 11 |
| HBD: | 9 | FractionCSP3: | 0.25 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 840.83 | Num_heavy_atoms: | 62 |
| TPSA: | 228.22 | NumAromaticRings: | 6 |
Unique Aglycone
AD59919
Formula: C42H30O9
Smiles:
Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc3c2C(c2cc(O)cc5c2C4C(c2ccc(O)cc2)O5)C(c2ccc(O)cc2)O3)cc1| HBA: | 9 | RingCount: | 10 |
| HBD: | 6 | FractionCSP3: | 0.14 |
| AlogP: | 8.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 678.69 | Num_heavy_atoms: | 51 |
| TPSA: | 149.07 | NumAromaticRings: | 6 |
