Glycoside
...
GD143192

Name:
None

Formula:
C45H52O13N4

Smiles:
CNCCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO

Aglycone:
CNCCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 10 FractionCSP3: 0.42
AlogP: 3.34 Num_rotatable_bonds: 17
MolWt: 856.93 Num_heavy_atoms: 62
TPSA: 264.85 NumAromaticRings: 6

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 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
SD04426

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