Glycoside
...
GD146721

Name:
None

Formula:
C83H90O13N4

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(C47NC4CC(CC)C8C9CCC(c%10ccc(cc%10)CC%10CC%11(C=CC3CC%11)CC3(C%10)C(O)=NCC63)C(C48)C7C9)C15O2

Aglycone:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C6C=CC(C47NC4CC(CC)C8C9CCC(c%10ccc(cc%10)CC%10CC%11(C=CC3CC%11)CC3(C%10)C(O)=NCC63)C(C48)C7C9)C15O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 30
HBD: 10 FractionCSP3: 0.52
AlogP: 11.4 Num_rotatable_bonds: 9
MolWt: 1351.65 Num_heavy_atoms: 100
TPSA: 264.85 NumAromaticRings: 7

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
AD58811
Formula: C67H72O6N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C6C=CC(C47NC4CC(CC)C8C9CCC(c%10ccc(cc%10)CC%10CC%11(C=CC3CC%11)CC3(C%10)C(O)=NCC63)C(C48)C7C9)C15O2
HBA: 10 RingCount: 27
HBD: 3 FractionCSP3: 0.55
AlogP: 12.42 Num_rotatable_bonds: 2
MolWt: 1029.33 Num_heavy_atoms: 77
TPSA: 123.24 NumAromaticRings: 5

Sugarmoiety
SD04360

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