Glycoside
...
GD125364

Name:
10-({3-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicen-3-one

Formula:
C54H86O22

Smiles:
CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(OC5CCC6(C)C(CCC7(C)C6C=CC6=C8CC(C)(C)C(=O)CC8(CO)CCC67C)C5(C)CO)OC(C)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CO)CC1=O

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)OC(C)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 13 FractionCSP3: 0.91
AlogP: -1.44 Num_rotatable_bonds: 12
MolWt: 1087.26 Num_heavy_atoms: 76
TPSA: 353.9 NumAromaticRings: 0

Unique Aglycone
AD50700
Formula: C30H46O4

Smiles:
CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CO)CC1=O
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 5.21 Num_rotatable_bonds: 2
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD06471

CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)OC(C)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O