Glycoside
...
GD133163

Name:
None

Formula:
C43H54O12N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C(CCNC)(CCC1CN=C(O)C1)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(CCNC)(CCC1CN=C(O)C1)O2.Cc1ccc(O)cc1

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 9 FractionCSP3: 0.49
AlogP: 3.05 Num_rotatable_bonds: 18
MolWt: 818.92 Num_heavy_atoms: 59
TPSA: 244.62 NumAromaticRings: 5

Unique Aglycone
AD00732
Formula: C7H8O

Smiles:
Cc1ccc(O)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 0
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD47751
Formula: C30H36O5N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(CCNC)(CCC1CN=C(O)C1)O2
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.47
AlogP: 4.34 Num_rotatable_bonds: 8
MolWt: 532.64 Num_heavy_atoms: 39
TPSA: 125.01 NumAromaticRings: 4

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO