Glycoside
...
GD148688

Name:
None

Formula:
C35H36O12N2

Smiles:
CC(C)CCc1c2[nH]ccc2cn1OC1C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(COC(=O)CC(=O)O)C(O)C1O

Aglycone:
CC(C)CCc1c2[nH]ccc2cn1O.COC(=O)CC(=O)O.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 5 FractionCSP3: 0.34
AlogP: 3.38 Num_rotatable_bonds: 12
MolWt: 676.68 Num_heavy_atoms: 49
TPSA: 202.91 NumAromaticRings: 5

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD48460
Formula: C11H16ON2

Smiles:
CC(C)CCc1c2[nH]ccc2cn1O
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.45
AlogP: 2.8 Num_rotatable_bonds: 3
MolWt: 192.26 Num_heavy_atoms: 14
TPSA: 40.95 NumAromaticRings: 2

Sugarmoiety
SD00017

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