Glycoside
GD117492
Name:
1-[2,6-dihydroxy-5-methyl-6-(propan-2-yl)-hexahydrofuro[3,2-b]furan-3-yl]-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-2-yl acetateFormula:
C37H56O12Smiles:
CC(=O)OC1CC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3=CCC2(C)C1C1C(O)OC2C1OC(C)C2(O)C(C)CAglycone:
CC(=O)OC1CC2C3=CCC4CC(O)CCC4(C)C3=CCC2(C)C1C1C(O)OC2C1OC(C)C2(O)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 692.84 | Num_heavy_atoms: | 49 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD46850
Formula: C31H46O7
Smiles:
CC(=O)OC1CC2C3=CCC4CC(O)CCC4(C)C3=CCC2(C)C1C1C(O)OC2C1OC(C)C2(O)C(C)C| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.7 | Num_heavy_atoms: | 38 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
