Glycoside
...
GD120619

Name:
None

Formula:
C55H63O13N3

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC(OOCC(O)(Cc1ccc(O)c4ccc(O)cc14)C(O)C(O)C(O)CO)C1(CC=CC(C1)C1CN=C(O)C14CCCC(CCC3)C4)O2

Aglycone:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC(O)C1(CC=CC(C1)C1CN=C(O)C14CCCC(CCC3)C4)O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 16 RingCount: 12
HBD: 9 FractionCSP3: 0.49
AlogP: 6.6 Num_rotatable_bonds: 11
MolWt: 974.12 Num_heavy_atoms: 71
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
AD48480
Formula: C38H43O5N3

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC(O)C1(CC=CC(C1)C1CN=C(O)C14CCCC(CCC3)C4)O2
HBA: 8 RingCount: 10
HBD: 3 FractionCSP3: 0.53
AlogP: 7.04 Num_rotatable_bonds: 1
MolWt: 621.78 Num_heavy_atoms: 46
TPSA: 112.98 NumAromaticRings: 4

Sugarmoiety
SD04426

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