Glycoside
...
GD138589

Name:
6-{[8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-11-(3-methyl-2-oxopent-3-en-1-yl)-10-[(2-methylbut-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C46H70O14

Smiles:
CC=C(C)C(=O)CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OC(=O)C(C)=CC

Aglycone:
CC=C(C)C(=O)CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OC(=O)C(C)=CC

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 8 FractionCSP3: 0.8
AlogP: 3.37 Num_rotatable_bonds: 10
MolWt: 847.05 Num_heavy_atoms: 60
TPSA: 240.74 NumAromaticRings: 0

Unique Aglycone
AD55926
Formula: C40H62O8

Smiles:
CC=C(C)C(=O)CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OC(=O)C(C)=CC
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.8
AlogP: 5.45 Num_rotatable_bonds: 7
MolWt: 670.93 Num_heavy_atoms: 48
TPSA: 144.52 NumAromaticRings: 0

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O