Glycoside
GD019210
Name:
2-{[1-(5-ethyl-6-methylhepta-3,6-dien-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H56O6Smiles:
C=C(C)C(C=C[C@H](C)[C@@H]1CCC2C3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)C3CC[C@]21C)CCAglycone:
C=C(C)C(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.83 | Num_heavy_atoms: | 41 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD13443
Formula: C29H46O
Smiles:
C=C(C)C(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)CC| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 7.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.69 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
