Glycoside

GD017861
Name:
NoneFormula:
C44H70O15Smiles:
CO[C@@H]1[C@H](O[C@H]2[C@H](OC)[C@@H](O[C@@H]3C[C@@H]4CC(=O)[C@]5(O)O[C@H](C[C@H]5C)C(C)(C)[C@H](C=CC=CC5CCCCC5)OC(=O)C[C@H](O4)[C@H]3C)OC[C@H]2OC)O[C@H](C)[C@H](O)[C@H]1OCAglycone:
CC1C(O)CC2CC(=O)C3(O)OC(CC3C)C(C)(C)C(C=CC=CC3CCCCC3)OC(=O)CC1O2Sugarmoiety:
COC1COC(O)C(OC)C1OC1OC(C)C(O)C(OC)C1OCOther Identifiers
Properties
HBA: | 15 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.86 |
AlogP: | 4.18 | Num_rotatable_bonds: | 11 |
MolWt: | 839.03 | Num_heavy_atoms: | 59 |
TPSA: | 176.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD12697
Formula: C29H44O7
Smiles:
CC1C(O)CC2CC(=O)C3(O)OC(CC3C)C(C)(C)C(C=CC=CC3CCCCC3)OC(=O)CC1O2HBA: | 7 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.79 |
AlogP: | 4.25 | Num_rotatable_bonds: | 3 |
MolWt: | 504.66 | Num_heavy_atoms: | 36 |
TPSA: | 102.29 | NumAromaticRings: | 0 |