Glycoside
GD130003
Name:
2-(hydroxymethyl)-6-{[4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,â·.0¹â°,¹âµ]hexadeca-2(7),3,5,10(15),11,13-hexaen-14-yl]oxy}oxane-3,4,5-triolFormula:
C34H32O11Smiles:
OCC1OC(Oc2cc(O)cc3c2C2c4cc(O)cc(O)c4C(c4ccc(O)cc4)C3C2c2ccc(O)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(C2c3c(O)cc(O)cc3C3c4c(O)cc(O)cc4C2C3c2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 616.62 | Num_heavy_atoms: | 45 |
| TPSA: | 200.53 | NumAromaticRings: | 4 |
Unique Aglycone
AD52669
Formula: C28H22O6
Smiles:
Oc1ccc(C2c3c(O)cc(O)cc3C3c4c(O)cc(O)cc4C2C3c2ccc(O)cc2)cc1| HBA: | 6 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.14 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 454.48 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 4 |
