Glycoside
...
GD143889

Name:
None

Formula:
C41H51O12N4

Smiles:
C[NH2+]CCC1(CCC2CN=C(O)C2)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=C3C2)CC1OOCC(O)(Cc1ccc(O)cc1)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)cc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 9 FractionCSP3: 0.49
AlogP: 0.86 Num_rotatable_bonds: 17
MolWt: 791.88 Num_heavy_atoms: 57
TPSA: 244.08 NumAromaticRings: 3

Unique Aglycone
AD00732
Formula: C7H8O

Smiles:
Cc1ccc(O)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 0
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
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