Glycoside
GD030464
Name:
NoneFormula:
C47H60O17Smiles:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O[C@@H]1[C@H](C)O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.49 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 21 |
| MolWt: | 896.98 | Num_heavy_atoms: | 64 |
| TPSA: | 275.5 | 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 |
AD19712
Formula: C20H32O2
Smiles:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 304.47 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
