Glycoside
...
GD130576

Name:
7-{5a,5b,8,8,10,11a,13b-heptamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl}-2,3-bis(acetyloxy)-1-{[3,4-bis(acetyloxy)-2-[(acetyloxy)methyl]-5-acetamido-2-hydroxycyclopentyl]oxy}octan-4-yl acetate

Formula:
C56H89O15N

Smiles:
CC(=O)OCC1(O)C(OCC(OC(C)=O)C(OC(C)=O)C(CCC(C)C2CCC3(C)C2CCC2(C)C3CCC3C4(C)CC(C)CC(C)(C)C4CCC32C)OC(C)=O)C(N=C(C)O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OCC1(O)C(O)C(N=C(C)O)C(OC(C)=O)C1OC(C)=O.CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CC(C)CC(C)(C)C3CCC21C

Sugarmoiety:
CC(=O)OC(O)C(OC(C)=O)C(CO)OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 2 FractionCSP3: 0.88
AlogP: 8.84 Num_rotatable_bonds: 17
MolWt: 1016.32 Num_heavy_atoms: 72
TPSA: 219.85 NumAromaticRings: 0

Unique Aglycone
AD52658
Formula: C32H56

Smiles:
CCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CC(C)CC(C)(C)C3CCC21C
HBA: 0 RingCount: 5
HBD: 0 FractionCSP3: 1.0
AlogP: 9.77 Num_rotatable_bonds: 2
MolWt: 440.8 Num_heavy_atoms: 32
TPSA: 0.0 NumAromaticRings: 0
AD52918
Formula: C14H21O9N

Smiles:
CC(=O)OCC1(O)C(O)C(N=C(C)O)C(OC(C)=O)C1OC(C)=O
HBA: 10 RingCount: 1
HBD: 3 FractionCSP3: 0.71
AlogP: -1.14 Num_rotatable_bonds: 5
MolWt: 347.32 Num_heavy_atoms: 24
TPSA: 151.95 NumAromaticRings: 0

Sugarmoiety
SD04072

CC(=O)OC(O)C(OC(C)=O)C(CO)OC(C)=O