Glycoside
GD115049
Name:
2-{[2,9b,10-trihydroxy-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:
C34H56O8Smiles:
C=C(CCC(C)C1C(O)CC2C3CC=C4CC(OC5OC(C)C(O)C(O)C5O)CCC4(C)C3(O)C(O)CC21C)C(C)CAglycone:
C=C(CCC(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3(O)C(O)CC21C)C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.81 | Num_heavy_atoms: | 42 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD45443
Formula: C28H46O4
Smiles:
C=C(CCC(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3(O)C(O)CC21C)C(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.67 | Num_heavy_atoms: | 32 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
