Glycoside
GD033727
Name:
3Beta-[(O-Beta-D-Glucopyranosyl-(1-2)-Alpha-L-Arabinopyranosyl)Oxy]-20Bet+Formula:
C41H66O12Smiles:
C[C@@H]1[C@@H]2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]23CC[C@@]1(C)OC3=OAglycone:
CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC23CCC1(C)OC3=OSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.98 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD21507
Formula: C30H48O3
Smiles:
CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC23CCC1(C)OC3=O| HBA: | 3 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
