Glycoside
GD019371
Name:
BREVICUSPISAPONIN 2Formula:
C35H56O10Smiles:
C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(CO)(CO)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(CO)(CO)C5CCC43C)C2C1(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD13532
Formula: C30H48O6
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(CO)(CO)C5CCC43C)C2C1(C)O| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
