Glycoside
GD029480
Name:
4-{7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2,3a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C30H46O9Smiles:
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)C(O)C[C@@]43O)C2)O[C@@H](C)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 550.69 | Num_heavy_atoms: | 39 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD06461
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(O)CC12O| 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 |
