Glycoside
...
GD031516

Name:
None

Formula:
C27H30O12N2

Smiles:
C[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(=O)N(C)C)[C@H]1OC(=O)N(C)C

Aglycone:
CN(C)C(=O)O.CN(C)C(=O)O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 4 FractionCSP3: 0.37
AlogP: 2.19 Num_rotatable_bonds: 5
MolWt: 574.54 Num_heavy_atoms: 41
TPSA: 188.67 NumAromaticRings: 3

Unique Aglycone
AD00022
Formula: C15H10O6

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)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
AD16141
Formula: C3H7O2N

Smiles:
CN(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.23 Num_rotatable_bonds: 0
MolWt: 89.09 Num_heavy_atoms: 6
TPSA: 40.54 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O