Glycoside
...
GD151077

Name:
None

Formula:
C42H46O14N4

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5C=CN=C5C4)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3OC(Cc3ccccc3)C21

Aglycone:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OC(Cc3ccccc3)C21.NC(N)COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 9 FractionCSP3: 0.4
AlogP: 0.77 Num_rotatable_bonds: 15
MolWt: 830.84 Num_heavy_atoms: 60
TPSA: 267.54 NumAromaticRings: 3

Unique Aglycone
AD45165
Formula: C5H10O4N2

Smiles:
NC(N)COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.6
AlogP: -1.75 Num_rotatable_bonds: 4
MolWt: 162.14 Num_heavy_atoms: 11
TPSA: 115.64 NumAromaticRings: 0
AD60293
Formula: C32H30O6N2

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OC(Cc3ccccc3)C21
HBA: 8 RingCount: 7
HBD: 2 FractionCSP3: 0.28
AlogP: 4.66 Num_rotatable_bonds: 8
MolWt: 538.6 Num_heavy_atoms: 40
TPSA: 92.98 NumAromaticRings: 3

Sugarmoiety
SD00017

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