Glycoside
GD015726
Name:
TUBEROSIDEFormula:
C34H56O8Smiles:
CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]21CAglycone:
CC(C)C(C)C=CC(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.81 | Num_heavy_atoms: | 42 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD11392
Formula: C28H46O3
Smiles:
CC(C)C(C)C=CC(C)C1CCC2C3=CC(O)C4(O)CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
