Glycoside
...
GD136611

Name:
Sempervirenoside A

Formula:
C42H52O21

Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(OC(C)=O)C(OC3OCC(O)C(OC(C)=O)C3O)C2O)cc1

Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1

Sugarmoiety:
CC(=O)OC1C(O)COC(OC2C(O)C(O)OC(C)C2OC(C)=O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 8 FractionCSP3: 0.55
AlogP: -0.33 Num_rotatable_bonds: 13
MolWt: 892.86 Num_heavy_atoms: 63
TPSA: 309.26 NumAromaticRings: 3

Unique Aglycone
AD10075
Formula: C21H20O6

Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.19
AlogP: 4.09 Num_rotatable_bonds: 4
MolWt: 368.39 Num_heavy_atoms: 27
TPSA: 100.13 NumAromaticRings: 3

Sugarmoiety
SD08077

CC(=O)OC1C(O)COC(OC2C(O)C(O)OC(C)C2OC(C)=O)C1O.OCC1OC(O)C(O)C(O)C1O