Glycoside
...
GD150408

Name:
Eucalmaidin D

Formula:
C31H34O14

Smiles:
CC(C)(O)C1CC=C(C(=O)OCC2OC(Oc3ccc(-c4oc5cc(O)cc(O)c5c(=O)c4O)cc3O)C(O)C(O)C2O)CC1

Aglycone:
COC(=O)C1=CCC(C(C)(C)O)CC1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 8 FractionCSP3: 0.42
AlogP: 1.51 Num_rotatable_bonds: 7
MolWt: 630.6 Num_heavy_atoms: 45
TPSA: 236.81 NumAromaticRings: 3

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
AD04696
Formula: C11H18O3

Smiles:
COC(=O)C1=CCC(C(C)(C)O)CC1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.73
AlogP: 1.66 Num_rotatable_bonds: 2
MolWt: 198.26 Num_heavy_atoms: 14
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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