Glycoside
GD136341
Name:
2-[(6-{3,3b,5-trihydroxy-9a,11a-dimethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-methylheptan-3-yl)oxy]oxane-3,4,5-triolFormula:
C37H62O13Smiles:
CC(C)C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)C=C3C(O)CC12O)OC1OCC(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12OSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 714.89 | Num_heavy_atoms: | 50 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD55107
Formula: C27H46O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
