Glycoside
GD143096
Name:
Helieianeoside CFormula:
C37H46O24Smiles:
CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.59 |
| AlogP: | -4.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 874.75 | Num_heavy_atoms: | 61 |
| TPSA: | 387.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
