Glycoside
GD146186
Name:
vaterioside bFormula:
C62H52O17Smiles:
OCC1OC(Oc2cc(O)cc3c2C(c2ccc(O)cc2)C(C2c4cc(O)cc5c4C(c4cc(O)cc(O)c4C2c2ccc(O)cc2)C(c2ccc(O)cc2)O5)c2cc(O)cc4c2C3C(c2ccc(O)cc2)O4)C(O)C(O)C1OAglycone:
Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C4C2c3cc(O)cc4c3C(c3cc(O)cc(O)c3C2c2ccc(O)cc2)C(c2ccc(O)cc2)O4)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 13 |
| HBD: | 13 | FractionCSP3: | 0.23 |
| AlogP: | 7.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 1069.08 | Num_heavy_atoms: | 79 |
| TPSA: | 299.91 | NumAromaticRings: | 8 |
Unique Aglycone
AD17055
Formula: C56H42O12
Smiles:
Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C4C2c3cc(O)cc4c3C(c3cc(O)cc(O)c3C2c2ccc(O)cc2)C(c2ccc(O)cc2)O4)cc1| HBA: | 12 | RingCount: | 12 |
| HBD: | 10 | FractionCSP3: | 0.14 |
| AlogP: | 10.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 906.94 | Num_heavy_atoms: | 68 |
| TPSA: | 220.76 | NumAromaticRings: | 8 |
