Glycoside
...
GD158038

Name:
None

Formula:
C40H44O13N2

Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCCO)C(OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCCO)C(O)C3.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 9 FractionCSP3: 0.38
AlogP: 2.77 Num_rotatable_bonds: 14
MolWt: 760.79 Num_heavy_atoms: 55
TPSA: 240.46 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
AD51598
Formula: C23H24O5N2

Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCCO)C(O)C3
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.35
AlogP: 3.2 Num_rotatable_bonds: 4
MolWt: 408.45 Num_heavy_atoms: 30
TPSA: 100.62 NumAromaticRings: 4

Sugarmoiety
SD04426

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