Glycoside
GD035618
Name:
NoneFormula:
C35H56O7Smiles:
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@H]3C(=CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]34C)[C@@H]12Aglycone:
CC1CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 588.83 | Num_heavy_atoms: | 42 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD22526
Formula: C29H46O3
Smiles:
CC1CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 442.68 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
