Glycoside
GD133712
Name:
Spirost-5-En-3-Ol; (3β,25R)-Form, 3-O-[α-L-Rhamnopyranosyl-(1->3)-α-L-Rhamnopyranosyl-(1->4)-β-D-Glucopyranosyl-(1->4)-β-D-Glucopyranoside]Formula:
C51H82O21Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(OC8OC(C)C(O)C(OC9OC(C)C(O)C(O)C9O)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 1031.2 | Num_heavy_atoms: | 72 |
| TPSA: | 314.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00005
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
