Glycoside
GD009320
Name:
VAVILOSIDE B1/B2Formula:
C44H72O16Smiles:
C[C@@H](CCC1O[C@H]2C[C@H]3[C@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@@H](O)[C@@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@H]1C)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(CO)CCC1OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 857.04 | Num_heavy_atoms: | 60 |
| TPSA: | 246.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD07317
Formula: C27H44O4
Smiles:
CC(CO)CCC1OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
