Glycoside
GD142639
Name:
1-{5-[(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy]-6-methylhept-3-en-2-yl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,7-tetrolFormula:
C33H56O9Smiles:
COC1C(O)COC(OC(C=CC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)CC4C(O)CC23O)C(C)C)C1OAglycone:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
COC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.8 | Num_heavy_atoms: | 42 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD02524
Formula: C27H46O5
Smiles:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
