Glycoside
...
GD116349

Name:
Daphcalycinosidine

Formula:
C38H49O12N

Smiles:
CC1CN2CC3CCC4=C5C(CC4)C(C(=O)OCC4OC(OC6OC=C(C(=O)O)C7CC=C(CO)C67)C(O)C(O)C4O)CC54C(=O)C1CC2C34C

Aglycone:
COC(=O)C1CC23C(=O)C4CC5N(CC4C)CC(CCC4=C2C1CC4)C53C.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: 5 FractionCSP3: 0.76
AlogP: 1.29 Num_rotatable_bonds: 7
MolWt: 711.81 Num_heavy_atoms: 51
TPSA: 192.52 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
AD46183
Formula: C23H31O3N

Smiles:
COC(=O)C1CC23C(=O)C4CC5N(CC4C)CC(CCC4=C2C1CC4)C53C
HBA: 4 RingCount: 6
HBD: 0 FractionCSP3: 0.83
AlogP: 3.21 Num_rotatable_bonds: 1
MolWt: 369.51 Num_heavy_atoms: 27
TPSA: 46.61 NumAromaticRings: 0

Sugarmoiety
SD00017

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