Glycoside
GD003648
Name:
NoneFormula:
C68H96O28Smiles:
CCCOc1c2cc(COC3OC(CO)C(O)C(O)C3O)cc1Cc1cc(COC3OC(CO)C(O)C(O)C3O)cc(c1OCCC)Cc1cc(COC3OC(CO)C(O)C(O)C3O)cc(c1OCCC)Cc1cc(COC3OC(CO)C(O)C(O)C3O)cc(c1OCCC)C2Aglycone:
CCCOc1c2cc(CO)cc1Cc1cc(CO)cc(c1OCCC)Cc1cc(CO)cc(c1OCCC)Cc1cc(CO)cc(c1OCCC)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 9 |
| HBD: | 16 | FractionCSP3: | 0.65 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 28 |
| MolWt: | 1361.49 | Num_heavy_atoms: | 96 |
| TPSA: | 434.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD03290
Formula: C44H56O8
Smiles:
CCCOc1c2cc(CO)cc1Cc1cc(CO)cc(c1OCCC)Cc1cc(CO)cc(c1OCCC)Cc1cc(CO)cc(c1OCCC)C2| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 7.49 | Num_rotatable_bonds: | 16 |
| MolWt: | 712.92 | Num_heavy_atoms: | 52 |
| TPSA: | 117.84 | NumAromaticRings: | 4 |
Sugarmoiety
SD00109
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O