Glycoside
...
GD147515

Name:
None

Formula:
C43H51O11N5

Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(OOCC(O)C(O)(Cn1ccc2[nH]ccc21)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(O)C3.Cn1ccc2[nH]ccc21

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

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 8 FractionCSP3: 0.49
AlogP: 4.1 Num_rotatable_bonds: 14
MolWt: 813.91 Num_heavy_atoms: 59
TPSA: 233.08 NumAromaticRings: 6

Unique Aglycone
AD45137
Formula: C7H8N2

Smiles:
Cn1ccc2[nH]ccc21
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 1.51 Num_rotatable_bonds: 0
MolWt: 120.15 Num_heavy_atoms: 9
TPSA: 20.72 NumAromaticRings: 2
AD53804
Formula: C30H33O5N3

Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C12CCCC2)C(O)C3
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.47
AlogP: 5.35 Num_rotatable_bonds: 4
MolWt: 515.61 Num_heavy_atoms: 38
TPSA: 112.98 NumAromaticRings: 4

Sugarmoiety
SD04404

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