Glycoside
...
GD011393

Name:
STENOPALUSTROSIDE E

Formula:
C50H46O20

Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CC(=O)OC[C@@H]3O[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@H](O)[C@H](OC(=O)C=Cc4ccc(O)cc4)[C@H]3O)cc2OC)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(OC(CO)C(O)c2ccc(O)c(OC)c2)c(OC)c1.O=C(O)C=Cc1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 9 FractionCSP3: 0.22
AlogP: 4.19 Num_rotatable_bonds: 17
MolWt: 966.9 Num_heavy_atoms: 70
TPSA: 311.03 NumAromaticRings: 6

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD00022
Formula: C15H10O6

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3
AD08715
Formula: C21H24O8

Smiles:
COC(=O)C=Cc1ccc(OC(CO)C(O)c2ccc(O)c(OC)c2)c(OC)c1
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.29
AlogP: 2.07 Num_rotatable_bonds: 9
MolWt: 404.42 Num_heavy_atoms: 29
TPSA: 114.68 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O