Glycoside
...
GD123439

Name:
7-({6-[({3-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6,6-bis(hydroxymethyl)-3',3a,9a,11a-tetramethyl-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-5'-one

Formula:
C61H98O33

Smiles:
CC1OC(OC2C(OC3C(OCC4OC(OC5CCC6(C)C7=C(CCC6C5(CO)CO)C5(C)CCC6(OC(=O)CC6C)C5(C)CC7)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1CC(=O)OC12CCC1(C)C3=C(CCC12C)C1(C)CCC(O)C(CO)(CO)C1CC3

Sugarmoiety:
CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 11
HBD: 19 FractionCSP3: 0.95
AlogP: -7.64 Num_rotatable_bonds: 18
MolWt: 1359.42 Num_heavy_atoms: 94
TPSA: 521.43 NumAromaticRings: 0

Unique Aglycone
AD49815
Formula: C26H40O5

Smiles:
CC1CC(=O)OC12CCC1(C)C3=C(CCC12C)C1(C)CCC(O)C(CO)(CO)C1CC3
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.88
AlogP: 3.75 Num_rotatable_bonds: 2
MolWt: 432.6 Num_heavy_atoms: 31
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD05838

CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O