Glycoside
...
GD155233

Name:
3,5-bis({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy})-4-hydroxy-6-(hydroxymethyl)oxan-2-yl 10-({3-acetamido-5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-7,8-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C64H103O31N

Smiles:
CC(O)=NC1C(OC2CCC3(C)C(C(O)C(O)C4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(OC6OCC(O)(CO)C6O)C(O)C5OC5OCC(O)(CO)C5O)CCC34C)C2(C)C)OC(COC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)C(O)C43C)C2C1

Sugarmoiety:
CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OC1OCC(O)(CO)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 18 FractionCSP3: 0.94
AlogP: -4.9 Num_rotatable_bonds: 17
MolWt: 1382.5 Num_heavy_atoms: 96
TPSA: 504.33 NumAromaticRings: 0

Unique Aglycone
AD55896
Formula: C30H48O5

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)C(O)C43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 1
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD07721

CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OC1OCC(O)(CO)C1O