Glycoside
...
GD121456

Name:
None

Formula:
C53H58O13N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOC(C(O)(Cc3ccc(O)c4ccc(O)cc34)C(O)C(O)C(O)CO)CCC3=CC(NC)C4C=CC(C5CN=C(O)C5)C3C14O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOCCCC3=CC(NC)C4C=CC(C5CN=C(O)C5)C3C14O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 11
HBD: 10 FractionCSP3: 0.43
AlogP: 4.62 Num_rotatable_bonds: 11
MolWt: 959.06 Num_heavy_atoms: 70
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
AD48892
Formula: C37H40O6N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOCCCC3=CC(NC)C4C=CC(C5CN=C(O)C5)C3C14O2
HBA: 10 RingCount: 9
HBD: 3 FractionCSP3: 0.46
AlogP: 5.64 Num_rotatable_bonds: 4
MolWt: 636.75 Num_heavy_atoms: 47
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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