Glycoside
...
GD120165

Name:
Panzhihuacycaside

Formula:
C39H50O24

Smiles:
CC1OC(OCC2OC(c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 7
HBD: 15 FractionCSP3: 0.62
AlogP: -5.41 Num_rotatable_bonds: 11
MolWt: 902.81 Num_heavy_atoms: 63
TPSA: 398.27 NumAromaticRings: 3

Unique Aglycone
AD00529
Formula: C15H10O5

Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 270.24 Num_heavy_atoms: 20
TPSA: 90.9 NumAromaticRings: 3

Sugarmoiety
SD05568

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O