Glycoside
GD020272
Name:
3Beta-O-(Beta-D-Diginosyl)-8,14-Dihydroxy-5Beta,14Beta-Card-20(22)-DienolideFormula:
C30H46O8Smiles:
CO[C@@H]1C[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@]4(O)CC[C@@H]3C2)O[C@H](C)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)CCC21OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.69 | Num_heavy_atoms: | 38 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD14027
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)CCC21O| 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 |
