Glycoside
GD010619
Name:
CERTONARDOSIDE H3Formula:
C38H66O13Smiles:
CO[C@@H]1[C@H](O[C@H]2[C@H](O[C@H](CC[C@H](C)[C@@H]3C[C@H](O)[C@@H]4[C@@H]5C[C@H](O)[C@@H]6[C@H](O)[C@H](O)CC[C@@]6(C)[C@H]5CC[C@@]34C)C(C)C)O[C@@H](CO)[C@H]2O)OC[C@H](O)[C@H]1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12CSugarmoiety:
COC1C(OC2C(O)OC(CO)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 730.93 | Num_heavy_atoms: | 51 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD08178
Formula: C27H48O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4C(O)C(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
