Glycoside
GD030417
Name:
Periplogenin 3-O-(4-O-Beta-Glucopyranosyl-Beta-Digitalopyranoside)Formula:
C36H56O14Smiles:
CO[C@@H]1[C@H](O)[C@H](O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 712.83 | Num_heavy_atoms: | 50 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD00285
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
