Glycoside
...
GD147447

Name:
daphcalycinosidine a

Formula:
C38H53O12N

Smiles:
CC1CN2CC3CCC4CCC5C(C(=O)OCC6OC(OC7OC=C(C(=O)O)C8CC=C(CO)C78)C(O)C(O)C6O)CC6(C2C1CCC36C)C45O

Aglycone:
COC(=O)C1CC23C4C5CCC2(C)C(CCC2CCC1C23O)CN4CC5C.O=C(O)C1=COC(O)C2C(CO)=CCC12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 9
HBD: 6 FractionCSP3: 0.84
AlogP: 1.16 Num_rotatable_bonds: 7
MolWt: 715.84 Num_heavy_atoms: 51
TPSA: 195.68 NumAromaticRings: 0

Unique Aglycone
AD05149
Formula: C10H12O5

Smiles:
O=C(O)C1=COC(O)C2C(CO)=CCC12
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: -0.14 Num_rotatable_bonds: 2
MolWt: 212.2 Num_heavy_atoms: 15
TPSA: 86.99 NumAromaticRings: 0
AD59046
Formula: C23H35O3N

Smiles:
COC(=O)C1CC23C4C5CCC2(C)C(CCC2CCC1C23O)CN4CC5C
HBA: 4 RingCount: 6
HBD: 1 FractionCSP3: 0.96
AlogP: 3.08 Num_rotatable_bonds: 1
MolWt: 373.54 Num_heavy_atoms: 27
TPSA: 49.77 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O