Glycoside
GD020456
Name:
NoneFormula:
C28H42O9Smiles:
C[C@]12[C@@H](O)C[C@@H]3[C@@H](CC[C@@H]4C[C@@H](OC5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]43C)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1Aglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 522.64 | Num_heavy_atoms: | 37 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD02796
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
