Glycoside
GD125476
Name:
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-(5-hydroxy-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6-tetrolFormula:
C33H56O10Smiles:
COC1C(OC2CCC3(C)C(C(O)CC4(O)C3CCC3(C)C(C(C)C=CC(O)C(C)C)CC(O)C34)C2O)OCC(O)C1OAglycone:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
COC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 612.8 | Num_heavy_atoms: | 43 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD50749
Formula: C27H46O6
Smiles:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.66 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
