Glycoside
...
GD130793

Name:
2-({2-[9-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-icosahydro-1H-cyclopenta[a]chrysen-3-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C52H88O21

Smiles:
CC1OC(OC2CCC3(C)C(C(OC4OCC(O)C(O)C4O)CC4(C)C3CCC3C5(C)CCC(C(C)(C)OC6OC(CO)C(O)C(O)C6O)C5C(O)CC34C)C2(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:
CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C

Sugarmoiety:
CC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O.OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 13 FractionCSP3: 1.0
AlogP: -1.24 Num_rotatable_bonds: 10
MolWt: 1049.26 Num_heavy_atoms: 73
TPSA: 336.83 NumAromaticRings: 0

Unique Aglycone
AD45741
Formula: C30H52O4

Smiles:
CC(C)(O)C1CCC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(O)CC21C
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 5.16 Num_rotatable_bonds: 1
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD07274

CC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O.OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O