Glycoside
...
GD118803

Name:
None

Formula:
C45H53O13N4

Smiles:
C[NH2+]CCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=C3C2)CC1OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO

Aglycone:
C[NH2+]CCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=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: 0.44
AlogP: 1.72 Num_rotatable_bonds: 17
MolWt: 857.93 Num_heavy_atoms: 62
TPSA: 264.31 NumAromaticRings: 4

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
AD45891
Formula: C28H33O5N4

Smiles:
C[NH2+]CCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=C3C2)CC1O
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.46
AlogP: 2.15 Num_rotatable_bonds: 7
MolWt: 505.6 Num_heavy_atoms: 37
TPSA: 124.47 NumAromaticRings: 2

Sugarmoiety
SD04426

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