Glycoside
GD020424
Name:
NoneFormula:
C45H39O12ClSmiles:
O=C(CCCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1Aglycone:
O=C(CCCCOc1ccc(Cc2ccccc2Cl)cc1)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 6.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 795.24 | Num_heavy_atoms: | 57 |
| TPSA: | 204.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD14101
Formula: C39H29O7Cl
Smiles:
O=C(CCCCOc1ccc(Cc2ccccc2Cl)cc1)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 8.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 633.1 | Num_heavy_atoms: | 46 |
| TPSA: | 114.04 | NumAromaticRings: | 4 |
