Glycoside
...
GD122496

Name:
None

Formula:
C40H44O12N2

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)c3ccc(O)cc13)C(O)C(O)C(O)CO)C(C)(C)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2.Cc1ccc(O)c2ccc(O)cc12

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 8 FractionCSP3: 0.38
AlogP: 3.58 Num_rotatable_bonds: 12
MolWt: 744.79 Num_heavy_atoms: 54
TPSA: 220.23 NumAromaticRings: 6

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD49369
Formula: C23H24O4N2

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.35
AlogP: 4.01 Num_rotatable_bonds: 2
MolWt: 392.46 Num_heavy_atoms: 29
TPSA: 80.39 NumAromaticRings: 4

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO