Glycoside
GD021790
Name:
NoneFormula:
C40H52O10Smiles:
CC1OC(Oc2cc3c(cc2-c2cc4c(cc2O)[C@]2(C)CCC[C@@](C)(C(=O)O)[C@H]2CC4)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]32C)C(O)C(O)C1OAglycone:
CC1(C(=O)O)CCCC2(C)c3cc(O)c(-c4cc5c(cc4O)C4(C)CCCC(C)(C(=O)O)C4CC5)cc3CCC12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 692.85 | Num_heavy_atoms: | 50 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD14840
Formula: C34H42O6
Smiles:
CC1(C(=O)O)CCCC2(C)c3cc(O)c(-c4cc5c(cc4O)C4(C)CCCC(C)(C(=O)O)C4CC5)cc3CCC12| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 6.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 546.7 | Num_heavy_atoms: | 40 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
