Glycoside
GD128700
Name:
2-{[1-(5,6-dimethylhept-3-en-2-yl)-5a-methoxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H56O7Smiles:
COC12CC=C3C(=CCC4(C)C3CCC4C(C)C=CC(C)C(C)C)C1(C)CCC(OC1OC(CO)C(O)C(O)C1O)C2Aglycone:
COC12CC=C3C(=CCC4(C)C3CCC4C(C)C=CC(C)C(C)C)C1(C)CCC(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 588.83 | Num_heavy_atoms: | 42 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD52130
Formula: C29H46O2
Smiles:
COC12CC=C3C(=CCC4(C)C3CCC4C(C)C=CC(C)C(C)C)C1(C)CCC(O)C2| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 7.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.69 | Num_heavy_atoms: | 31 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
