Glycoside
GD114822
Name:
Hemsleyanoside CFormula:
C54H52O19Smiles:
OCC1OC(c2c(O)cc3c(c2O)C(c2ccc(O)cc2)C2c4c5c(c(C6OC(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(C2Oc3cc(O)c4c(c3C2c2cc(O)cc(O)c2)C2C(c3ccc(O)cc3)c3c(O)cc(O)cc3C2C4c2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 11 |
| HBD: | 16 | FractionCSP3: | 0.33 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 1004.99 | Num_heavy_atoms: | 73 |
| TPSA: | 351.37 | NumAromaticRings: | 6 |
Unique Aglycone
AD45309
Formula: C42H32O9
Smiles:
Oc1ccc(C2Oc3cc(O)c4c(c3C2c2cc(O)cc(O)c2)C2C(c3ccc(O)cc3)c3c(O)cc(O)cc3C2C4c2ccc(O)cc2)cc1| HBA: | 9 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.14 |
| AlogP: | 7.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 680.71 | Num_heavy_atoms: | 51 |
| TPSA: | 171.07 | NumAromaticRings: | 6 |
