Glycoside
...
GD147006

Name:
None

Formula:
C43H54O11N6

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)(Cn1ccc3[nH]ccc31)C(O)C(O)CO)C(CCNC)(CCC1CN=C(O)C1)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(CCNC)(CCC1CN=C(O)C1)O2.Cn1ccc2[nH]ccc21

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.49
AlogP: 3.08 Num_rotatable_bonds: 18
MolWt: 830.94 Num_heavy_atoms: 60
TPSA: 245.11 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
AD47751
Formula: C30H36O5N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(CCNC)(CCC1CN=C(O)C1)O2
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.47
AlogP: 4.34 Num_rotatable_bonds: 8
MolWt: 532.64 Num_heavy_atoms: 39
TPSA: 125.01 NumAromaticRings: 4

Sugarmoiety
SD04404

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