Glycoside
...
GD123021

Name:
None

Formula:
C74H80O13N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOC(C(O)(Cc4ccc(O)c5ccc(O)cc45)C(O)C(O)C(O)CO)C=CC4=CC5C6C(=CC(C47CCC4CC(CC)CC4N7)C15O2)C#CCC1CCC2(CC14C=CC3CC4)C(O)=NCC62

Aglycone:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C6C(=CC(C47CCC4CC(CC)CC4N7)C15O2)C#CCC1CCC2(CC14C=CC3CC4)C(O)=NCC62.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 22
HBD: 10 FractionCSP3: 0.51
AlogP: 9.35 Num_rotatable_bonds: 9
MolWt: 1233.47 Num_heavy_atoms: 91
TPSA: 264.85 NumAromaticRings: 6

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD49623
Formula: C58H62O6N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C6C(=CC(C47CCC4CC(CC)CC4N7)C15O2)C#CCC1CCC2(CC14C=CC3CC4)C(O)=NCC62
HBA: 10 RingCount: 19
HBD: 3 FractionCSP3: 0.55
AlogP: 10.37 Num_rotatable_bonds: 2
MolWt: 911.16 Num_heavy_atoms: 68
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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