Glycoside
...
GD149927

Name:
None

Formula:
C43H49O16N4

Smiles:
NC([NH3+])C(OC(=O)CC(=O)O)C1OC(Oc2cc(CN3CC4=CC=NC4=C3CO)c3c(c2)OC(Cc2ccccc2)C2c4ccc(OCO)c(OCCO)c4OC32)C(O)C(O)C1O

Aglycone:
NC([NH3+])COC(=O)CC(=O)O.OCCOc1c(OCO)ccc2c1OC1c3c(CN4CC5=CC=NC5=C4CO)cc(O)cc3OC(Cc3ccccc3)C21

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.42
AlogP: -1.26 Num_rotatable_bonds: 17
MolWt: 877.88 Num_heavy_atoms: 63
TPSA: 309.62 NumAromaticRings: 3

Unique Aglycone
AD45159
Formula: C5H11O4N2

Smiles:
NC([NH3+])COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 6 FractionCSP3: 0.6
AlogP: -2.47 Num_rotatable_bonds: 4
MolWt: 163.15 Num_heavy_atoms: 11
TPSA: 117.26 NumAromaticRings: 0
AD59920
Formula: C33H32O8N2

Smiles:
OCCOc1c(OCO)ccc2c1OC1c3c(CN4CC5=CC=NC5=C4CO)cc(O)cc3OC(Cc3ccccc3)C21
HBA: 10 RingCount: 7
HBD: 4 FractionCSP3: 0.3
AlogP: 3.34 Num_rotatable_bonds: 10
MolWt: 584.63 Num_heavy_atoms: 43
TPSA: 133.44 NumAromaticRings: 3

Sugarmoiety
SD00017

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