Glycoside
...
GD123961

Name:
None

Formula:
C40H39O12N3

Smiles:
CNCC(C(=O)O)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(On2cc3cc[nH]c3c2-c2cc(C)cc(C)c2)C(O)C1O

Aglycone:
CNCC(C(=O)O)C(=O)OC.Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 6 FractionCSP3: 0.28
AlogP: 3.52 Num_rotatable_bonds: 12
MolWt: 753.76 Num_heavy_atoms: 55
TPSA: 214.94 NumAromaticRings: 6

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
AD45036
Formula: C14H14ON2

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.14
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 40.95 NumAromaticRings: 3
AD45176
Formula: C6H11O4N

Smiles:
CNCC(C(=O)O)C(=O)OC
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: -0.92 Num_rotatable_bonds: 4
MolWt: 161.16 Num_heavy_atoms: 11
TPSA: 75.63 NumAromaticRings: 0

Sugarmoiety
SD00017

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