Glycoside
...
GD132229

Name:
None

Formula:
C36H40O12N3

Smiles:
CCCCCC1C2=NC=CC2=CN1OC1C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(COC(=O)C([NH2+]C)C(=O)O)C(O)C1O

Aglycone:
CCCCCC1C2=NC=CC2=CN1O.C[NH2+]C(C(=O)O)C(=O)OC.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 6 FractionCSP3: 0.39
AlogP: 1.6 Num_rotatable_bonds: 14
MolWt: 706.73 Num_heavy_atoms: 51
TPSA: 214.4 NumAromaticRings: 3

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD50337
Formula: C5H10O4N

Smiles:
C[NH2+]C(C(=O)O)C(=O)OC
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: -2.19 Num_rotatable_bonds: 3
MolWt: 148.14 Num_heavy_atoms: 10
TPSA: 80.21 NumAromaticRings: 0
AD53526
Formula: C11H16ON2

Smiles:
CCCCCC1C2=NC=CC2=CN1O
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.55
AlogP: 2.49 Num_rotatable_bonds: 4
MolWt: 192.26 Num_heavy_atoms: 14
TPSA: 35.83 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O