Glycoside
...
GD138644

Name:
4,5-dihydroxy-10-[(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-4a-(hydroxymethyl)-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-icosahydropicen-3-yl 2-methylbut-2-enoate

Formula:
C52H84O19

Smiles:
CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
CC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.9
AlogP: 0.71 Num_rotatable_bonds: 10
MolWt: 1013.23 Num_heavy_atoms: 71
TPSA: 304.21 NumAromaticRings: 0

Unique Aglycone
AD10268
Formula: C35H56O6

Smiles:
CC=C(C)C(=O)OC1C(O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.86
AlogP: 5.57 Num_rotatable_bonds: 3
MolWt: 572.83 Num_heavy_atoms: 41
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD08334

CC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O