Glycoside
GD115895
Name:
2-{[2-hydroxy-9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C34H56O6Smiles:
C=C(CCC(C)C1C(O)CC2C3CC=C4CC(OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)CAglycone:
C=C(CCC(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.82 | Num_heavy_atoms: | 40 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD45929
Formula: C28H46O2
Smiles:
C=C(CCC(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)C(C)C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 6.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.67 | Num_heavy_atoms: | 30 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
