Glycoside
...
GD134847

Name:
None

Formula:
C39H45O12N5

Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C1)C(OOCC(O)C(O)(Cn1c(O)cc2[nH]ccc21)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3.Cn1c(O)cc2[nH]ccc21

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.44
AlogP: 2.64 Num_rotatable_bonds: 14
MolWt: 775.81 Num_heavy_atoms: 56
TPSA: 253.31 NumAromaticRings: 6

Unique Aglycone
AD47135
Formula: C26H27O5N3

Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.38
AlogP: 4.18 Num_rotatable_bonds: 4
MolWt: 461.52 Num_heavy_atoms: 34
TPSA: 112.98 NumAromaticRings: 4
AD52136
Formula: C7H8ON2

Smiles:
Cn1c(O)cc2[nH]ccc21
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.14
AlogP: 1.21 Num_rotatable_bonds: 0
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 40.95 NumAromaticRings: 2

Sugarmoiety
SD04404

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