Glycoside
GD026986
Name:
7-[(5-hydroxy-3,4-dimethoxyoxan-2-yl)oxy]-1-(7-hydroxy-5-methylhept-3-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,3,3b,5-tetrolFormula:
C34H56O10Smiles:
CO[C@@H]1[C@@H](O[C@@H]2C=C3[C@H](O)C[C@@]4(O)[C@@H](CC[C@@]5(C)[C@H]4[C@H](O)[C@H](O)[C@@H]5[C@H](C)C=CC(C)CCO)[C@@]3(C)CC2)OC[C@@H](O)[C@H]1OCAglycone:
CC(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)CCOSugarmoiety:
COC1C(O)COC(O)C1OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 624.81 | Num_heavy_atoms: | 44 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD17761
Formula: C27H44O6
Smiles:
CC(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)CCO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.64 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
