Glycoside
...
GD133071

Name:
None

Formula:
C45H55O11N5

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)(Cn1ccc3[nH]ccc31)C(O)C(O)CO)C(C)(CCC1CN=C(O)C13CCCC3)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C13CCCC3)O2.Cn1ccc2[nH]ccc21

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

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 8 FractionCSP3: 0.51
AlogP: 4.66 Num_rotatable_bonds: 15
MolWt: 841.96 Num_heavy_atoms: 61
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
AD48975
Formula: C32H37O5N3

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C13CCCC3)O2
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.5
AlogP: 5.92 Num_rotatable_bonds: 5
MolWt: 543.66 Num_heavy_atoms: 40
TPSA: 112.98 NumAromaticRings: 4

Sugarmoiety
SD04404

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