Glycoside
...
GD115506

Name:
None

Formula:
C54H61O13N3

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)c3ccc(O)cc13)C(O)C(O)C(O)CO)C1(CC=C3CCC4CCCCC45C(O)=NCC5C3C1)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CC=C3CCC4CCCCC45C(O)=NCC5C3C1)O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 16 RingCount: 11
HBD: 9 FractionCSP3: 0.48
AlogP: 6.43 Num_rotatable_bonds: 12
MolWt: 960.09 Num_heavy_atoms: 70
TPSA: 252.82 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
AD45704
Formula: C37H41O5N3

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CC=C3CCC4CCCCC45C(O)=NCC5C3C1)O2
HBA: 8 RingCount: 9
HBD: 3 FractionCSP3: 0.51
AlogP: 6.86 Num_rotatable_bonds: 2
MolWt: 607.75 Num_heavy_atoms: 45
TPSA: 112.98 NumAromaticRings: 4

Sugarmoiety
SD04426

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