Glycoside

GD133558
Name:
NoneFormula:
C30H29O13Smiles:
O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(COC(O)C=Cc4ccc([OH2+])cc4)C(O)C(O)C3O)cc1-2Aglycone:
COC(O)C=Cc1ccc([OH2+])cc1.O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)cc1-2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 5 |
HBD: | 9 | FractionCSP3: | 0.23 |
AlogP: | 1.2 | Num_rotatable_bonds: | 8 |
MolWt: | 597.55 | Num_heavy_atoms: | 43 |
TPSA: | 222.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD54048
Formula: C10H13O3
Smiles:
COC(O)C=Cc1ccc([OH2+])cc1HBA: | 3 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.2 |
AlogP: | 1.1 | Num_rotatable_bonds: | 3 |
MolWt: | 181.21 | Num_heavy_atoms: | 13 |
TPSA: | 52.36 | NumAromaticRings: | 1 |
AD54049
Formula: C15H10O6
Smiles:
O=c1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)cc1-2HBA: | 6 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.0 |
AlogP: | 2.23 | Num_rotatable_bonds: | 1 |
MolWt: | 286.24 | Num_heavy_atoms: | 21 |
TPSA: | 111.13 | NumAromaticRings: | 1 |