Glycoside
GD021298
Name:
CERTONARDOSIDE B2Formula:
C41H72O12Smiles:
CO[C@@H]1CO[C@H](O[C@H]2[C@H](OCC[C@H](CC[C@H](C)[C@@H]3C[C@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@@H]6C[C@H](O)CC[C@@]6(C)[C@H]5CC[C@@]34C)C(C)C)O[C@@H](CO)[C@H]2O)[C@H](OC)[C@H]1OAglycone:
CC(C)C(CCO)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1COC(OC2C(O)OC(CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 14 |
| MolWt: | 757.02 | Num_heavy_atoms: | 53 |
| TPSA: | 176.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD14586
Formula: C29H52O4
Smiles:
CC(C)C(CCO)CCC(C)C1CC(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.73 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
