Glycoside
...
GD123808

Name:
None

Formula:
C36H44O13N2

Smiles:
O=C(O)C1OC(Oc2cc3oc(-c4ccc(OC5CCCC5)cc4)cc(=O)c3c(O)c2OC2(O)CCCCC2)C(O)C(O)C1(O)CC1CNCN1

Aglycone:
CC1CNCN1.O=c1cc(-c2ccc(OC3CCCC3)cc2)oc2cc(O)c(OC3(O)CCCCC3)c(O)c12

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.56
AlogP: 2.07 Num_rotatable_bonds: 10
MolWt: 712.75 Num_heavy_atoms: 51
TPSA: 229.64 NumAromaticRings: 3

Unique Aglycone
AD45423
Formula: C4H10N2

Smiles:
CC1CNCN1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.47 Num_rotatable_bonds: 0
MolWt: 86.14 Num_heavy_atoms: 6
TPSA: 24.06 NumAromaticRings: 0
AD47880
Formula: C26H28O7

Smiles:
O=c1cc(-c2ccc(OC3CCCC3)cc2)oc2cc(O)c(OC3(O)CCCCC3)c(O)c12
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.42
AlogP: 5.22 Num_rotatable_bonds: 5
MolWt: 452.5 Num_heavy_atoms: 33
TPSA: 109.36 NumAromaticRings: 3

Sugarmoiety
SD04330

O=C(O)C1OC(O)C(O)C(O)C1(O)O