Glycoside
...
GD107497

Name:
None

Formula:
C28H31O12N

Smiles:
CC[C@H](C)[C@H](NC(=O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)OC

Aglycone:
CCC(C)C(NC=O)C(=O)OC.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.39
AlogP: 0.76 Num_rotatable_bonds: 8
MolWt: 573.55 Num_heavy_atoms: 41
TPSA: 205.22 NumAromaticRings: 3

Unique Aglycone
AD02851
Formula: C15H10O5

Smiles:
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.0
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 270.24 Num_heavy_atoms: 20
TPSA: 90.9 NumAromaticRings: 3
AD05949
Formula: C8H15O3N

Smiles:
CCC(C)C(NC=O)C(=O)OC
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.32 Num_rotatable_bonds: 5
MolWt: 173.21 Num_heavy_atoms: 12
TPSA: 55.4 NumAromaticRings: 0

Sugarmoiety
SD00017

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