Glycoside
...
GD114257

Name:
Perfoliatumin B

Formula:
C29H26O13

Smiles:
COc1ccc(C(=O)OCC2OC(c3c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)C(O)C(O)C2O)cc1

Aglycone:
COC(=O)c1ccc(OC)cc1.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.24
AlogP: 1.67 Num_rotatable_bonds: 6
MolWt: 582.51 Num_heavy_atoms: 42
TPSA: 216.58 NumAromaticRings: 4

Unique Aglycone
AD00567
Formula: C15H10O6

Smiles:
O=c1cc(-c2ccc(O)c(O)c2)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
AD02530
Formula: C9H10O3

Smiles:
COC(=O)c1ccc(OC)cc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.22
AlogP: 1.48 Num_rotatable_bonds: 2
MolWt: 166.18 Num_heavy_atoms: 12
TPSA: 35.53 NumAromaticRings: 1

Sugarmoiety
SD00017

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