Glycoside
GD017054
Name:
NoneFormula:
C40H48O12Smiles:
CCC=CCC=CCC=CCC=CCC=CCCCOC[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC=CCC=CCC=CCC=CCC=CCCCOC.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 18 |
| MolWt: | 720.81 | Num_heavy_atoms: | 52 |
| TPSA: | 199.51 | 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 |
AD12219
Formula: C20H32O
Smiles:
CCC=CCC=CCC=CCC=CCC=CCCCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 6.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 288.48 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
