Glycoside
GD030983
Name:
NoneFormula:
C49H76O16Smiles:
COC1=C[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@@H]6C[C@@H]7OCO[C@]8(C[C@H](OC)[C@H](O[C@@H]9C[C@H](OC)[C@H](O)[C@H](C)O9)[C@H](C)O8)O[C@H]7[C@H](C)O6)[C@@]5(C)CC[C@H]43)C2)C1=OAglycone:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCOC5(CC(OC)C(O)C(C)O5)OC4C(C)O3)C2)C1=OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 921.13 | Num_heavy_atoms: | 65 |
| TPSA: | 177.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD03846
Formula: C42H64O13
Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCOC5(CC(OC)C(O)C(C)O5)OC4C(C)O3)C2)C1=O| HBA: | 13 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 776.96 | Num_heavy_atoms: | 55 |
| TPSA: | 149.83 | NumAromaticRings: | 0 |
