Glycoside
...
GD141382

Name:
None

Formula:
C62H68O13N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOC3(C(O)(Cc4ccc(O)c5ccc(O)cc45)C(O)C(O)C(O)CO)C=CC4=C(CC3)C3C5C(=CC(C4NC)C13O2)CCC1CCCCC12C(O)=NCC52

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOC3C=CC4=C(CC3)C3C5C(=CC(C4NC)C13O2)CCC1CCCCC12C(O)=NCC52.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 14
HBD: 10 FractionCSP3: 0.48
AlogP: 6.89 Num_rotatable_bonds: 10
MolWt: 1077.24 Num_heavy_atoms: 79
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
AD56965
Formula: C46H50O6N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOC3C=CC4=C(CC3)C3C5C(=CC(C4NC)C13O2)CCC1CCCCC12C(O)=NCC52
HBA: 10 RingCount: 12
HBD: 3 FractionCSP3: 0.52
AlogP: 7.9 Num_rotatable_bonds: 3
MolWt: 754.93 Num_heavy_atoms: 56
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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