Glycoside
...
GD125815

Name:
Monochaetin

Formula:
C60H52O30

Smiles:
O=C(OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O)C1C(C(=O)OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(c2ccc(O)c(O)c2)C1c1ccc(O)c(O)c1

Aglycone:
COC(=O)C1C(C(=O)OC)C(c2ccc(O)c(O)c2)C1c1ccc(O)c(O)c1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 30 RingCount: 11
HBD: 18 FractionCSP3: 0.27
AlogP: 1.67 Num_rotatable_bonds: 14
MolWt: 1253.05 Num_heavy_atoms: 90
TPSA: 514.08 NumAromaticRings: 8

Unique Aglycone
AD00377
Formula: C15H10O7

Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.0
AlogP: 1.99 Num_rotatable_bonds: 1
MolWt: 302.24 Num_heavy_atoms: 22
TPSA: 131.36 NumAromaticRings: 3
AD50888
Formula: C20H20O8

Smiles:
COC(=O)C1C(C(=O)OC)C(c2ccc(O)c(O)c2)C1c1ccc(O)c(O)c1
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.3
AlogP: 1.97 Num_rotatable_bonds: 4
MolWt: 388.37 Num_heavy_atoms: 28
TPSA: 133.52 NumAromaticRings: 2

Sugarmoiety
SD00041

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