Glycoside
...
GD152734

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

Formula:
C55H88O27

Smiles:
CC1OC(OC2C(OC3C(OCC4OC(OC5CCC6(C)C7=C(CCC6C5(C)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)C2O)C(O)C(O)C1O

Aglycone:
CC1CC(=O)OC12CCC1(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(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)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 15 FractionCSP3: 0.95
AlogP: -4.44 Num_rotatable_bonds: 14
MolWt: 1181.28 Num_heavy_atoms: 82
TPSA: 422.05 NumAromaticRings: 0

Unique Aglycone
AD51974
Formula: C26H40O4

Smiles:
CC1CC(=O)OC12CCC1(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.88
AlogP: 4.77 Num_rotatable_bonds: 1
MolWt: 416.6 Num_heavy_atoms: 30
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD05166

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