Glycoside
GD003097
Name:
NoneFormula:
C49H70O15Smiles:
COc1ccc(C=C2OC(=O)C=C2[C@@H]2CC[C@]3(O)[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](O)[C@H](O[C@@H]8C[C@H](O)[C@H](O)[C@H](C)O8)[C@H](C)O7)[C@H](C)O6)CC[C@@]5(C)[C@H]4C[C@H](O)[C@]23C)cc1Aglycone:
COc1ccc(C=C2OC(=O)C=C2C2CCC3(O)C4CCC5CC(O)CCC5(C)C4CC(O)C23C)cc1Sugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 899.08 | Num_heavy_atoms: | 64 |
| TPSA: | 212.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD02852
Formula: C31H40O6
Smiles:
COc1ccc(C=C2OC(=O)C=C2C2CCC3(O)C4CCC5CC(O)CCC5(C)C4CC(O)C23C)cc1| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 508.66 | Num_heavy_atoms: | 37 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
