Glycoside
...
GD142809

Name:
None

Formula:
C36H43O11N3

Smiles:
CNCCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO

Aglycone:
CNCCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O.Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 8 FractionCSP3: 0.42
AlogP: 1.75 Num_rotatable_bonds: 14
MolWt: 693.75 Num_heavy_atoms: 50
TPSA: 212.03 NumAromaticRings: 5

Unique Aglycone
AD00732
Formula: C7H8O

Smiles:
Cc1ccc(O)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 0
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD47300
Formula: C23H25O4N3

Smiles:
CNCCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.35
AlogP: 3.04 Num_rotatable_bonds: 4
MolWt: 407.47 Num_heavy_atoms: 30
TPSA: 92.42 NumAromaticRings: 4

Sugarmoiety
SD04426

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