Glycoside
...
GD124942

Name:
None

Formula:
C41H50O11N6

Smiles:
CNCCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1OOCC(O)C(O)(Cn1ccc2[nH]ccc21)C(O)C(O)CO

Aglycone:
CNCCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O.Cn1ccc2[nH]ccc21

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.46
AlogP: 2.52 Num_rotatable_bonds: 17
MolWt: 802.88 Num_heavy_atoms: 58
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
AD50516
Formula: C28H32O5N4

Smiles:
CNCCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.43
AlogP: 3.77 Num_rotatable_bonds: 7
MolWt: 504.59 Num_heavy_atoms: 37
TPSA: 125.01 NumAromaticRings: 4

Sugarmoiety
SD04404

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