Glycoside

GD031934
Name:
NoneFormula:
C48H44O22Smiles:
CC(=O)OC[C@@H]1O[C@](O)(Oc2cc(OC(C)=O)c3c(c2C2C(=O)c4c(OC(C)=O)cc(OC(C)=O)cc4OC2c2ccc(OC(C)=O)cc2)OC(c2ccc(OC(C)=O)cc2)CC3=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)Oc1ccc(C2CC(=O)c3c(OC(C)=O)cc(O)c(C4C(=O)c5c(OC(C)=O)cc(OC(C)=O)cc5OC4c4ccc(OC(C)=O)cc4)c3O2)cc1.COC(C)=OSugarmoiety:
OC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 7 |
HBD: | 4 | FractionCSP3: | 0.33 |
AlogP: | 3.19 | Num_rotatable_bonds: | 12 |
MolWt: | 972.86 | Num_heavy_atoms: | 70 |
TPSA: | 309.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD20529
Formula: C40H32O15
Smiles:
CC(=O)Oc1ccc(C2CC(=O)c3c(OC(C)=O)cc(O)c(C4C(=O)c5c(OC(C)=O)cc(OC(C)=O)cc5OC4c4ccc(OC(C)=O)cc4)c3O2)cc1HBA: | 15 | RingCount: | 6 |
HBD: | 1 | FractionCSP3: | 0.23 |
AlogP: | 5.83 | Num_rotatable_bonds: | 8 |
MolWt: | 752.68 | Num_heavy_atoms: | 55 |
TPSA: | 204.33 | NumAromaticRings: | 4 |