Glycoside
...
GD128713

Name:
None

Formula:
C41H49O12N5

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)(Cn1c(O)cc3[nH]ccc31)C(O)C(O)CO)C(C)(CCC1CN=C(O)C1)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2.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: 0.46
AlogP: 3.2 Num_rotatable_bonds: 15
MolWt: 803.87 Num_heavy_atoms: 58
TPSA: 253.31 NumAromaticRings: 6

Unique Aglycone
AD48785
Formula: C28H31O5N3

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.43
AlogP: 4.75 Num_rotatable_bonds: 5
MolWt: 489.57 Num_heavy_atoms: 36
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